CAS RN: 142116-37-8
CAS Name: (Z)-6-[(1S,2R,3R,4R)-3-[(E)-[[(4-chloroanilino)-oxomethyl]hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hexenoic acid
OPENEYE Name: (Z)-6-[(1S,2R,3R,4R)-3-[(E)-[(4-chlorophenyl)carbamoylhydrazono]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hex-4-enoic acid
IUPAC Name: (Z)-6-[(1S,2R,3R,4R)-3-[(E)-[(4-chlorophenyl)carbamoylhydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hex-4-enoic acid
SYSTEMATIC NAME: (Z)-6-[(1S,2R,3R,4R)-3-[(E)-[(4-chlorophenyl)carbamoylhydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hex-4-enoic acid
MOLECULAR FORMULA: C20H24ClN3O4
MOLECULAR WEIGHT: 405.87526
SMILES: C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C/C=C\CCC(=O)O)/C=N/NC(=O)NC3=CC=C(C=C3)Cl
Structure:
CAS RN: 142116-36-7
CAS Name: (Z)-6-[(1S,2R,3R,4R)-3-[(E)-[[anilino(oxo)methyl]hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hexenoic acid
OPENEYE Name: (Z)-6-[(1S,2R,3R,4R)-3-[(E)-(phenylcarbamoylhydrazono)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hex-4-enoic acid
IUPAC Name: (Z)-6-[(1S,2R,3R,4R)-3-[(E)-(phenylcarbamoylhydrazinylidene)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hex-4-enoic acid
SYSTEMATIC NAME: (Z)-6-[(1S,2R,3R,4R)-3-[(E)-(phenylcarbamoylhydrazinylidene)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hex-4-enoic acid
MOLECULAR FORMULA: C20H25N3O4
MOLECULAR WEIGHT: 371.4302
SMILES: C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C/C=C\CCC(=O)O)/C=N/NC(=O)NC3=CC=CC=C3
Structure:
CAS RN: 141912-84-7
CAS Name: (6S,7S)-7-[[(2E)-2-(2-amino-5-chloro-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-(2-imidazo[1,5-a]pyridin-4-iumylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
OPENEYE Name: (6S,7S)-7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(imidazo[1,5-a]pyridin-4-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: (6S,7S)-7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,5-a]pyridin-4-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (6S,7S)-7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(imidazo[1,5-a]pyridin-4-ium-2-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C21H18ClN7O5S2
MOLECULAR WEIGHT: 547.99452
SMILES: CO/N=C(\C1=C(SC(=N1)N)Cl)/C(=O)N[C@@H]2[C@H]3N(C2=O)C(=C(CS3)CN4C=C5C=CC=C[N+]5=C4)C(=O)[O-]
Structure:
CAS RN: 141407-20-7
CAS Name: 1-(3,4-dichlorophenyl)-2-(4,5-dioxo-1-propan-2-yl-2-imidazolyl)guanidine
OPENEYE Name: 1-(3,4-dichlorophenyl)-2-(1-isopropyl-4,5-dioxo-imidazol-2-yl)guanidine
IUPAC Name: 1-(3,4-dichlorophenyl)-2-(4,5-dioxo-1-propan-2-ylimidazol-2-yl)guanidine
SYSTEMATIC NAME: 2-[4,5-bis(oxidanylidene)-1-propan-2-yl-imidazol-2-yl]-1-(3,4-dichlorophenyl)guanidine
MOLECULAR FORMULA: C13H13Cl2N5O2
MOLECULAR WEIGHT: 342.18062
SMILES: CC(C)N1C(=O)C(=O)N=C1/N=C(\N)/NC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 139147-26-5
CAS Name: 4-[[3-[(E)-(2-cyclohexyl-2-hydroxyethylidene)amino]-1-ethyl-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-5-yl]thio]butanoic acid
OPENEYE Name: 4-[[3-[(E)-(2-cyclohexyl-2-hydroxy-ethylidene)amino]-1-ethyl-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-5-yl]sulfanyl]butanoic acid
IUPAC Name: 4-[[3-[(E)-(2-cyclohexyl-2-hydroxyethylidene)amino]-1-ethyl-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-5-yl]sulfanyl]butanoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-(2-cyclohexyl-2-oxidanyl-ethylidene)amino]-1-ethyl-2-oxidanylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-5-yl]sulfanyl]butanoic acid
MOLECULAR FORMULA: C20H33N3O4S
MOLECULAR WEIGHT: 411.55872
SMILES: CCN1C2CC(CC2N(C1=O)/N=C/C(C3CCCCC3)O)SCCCC(=O)O
Structure:
CAS RN: 138272-10-3
CAS Name: tripotassium 6-[[4-chloro-6-[[(7Z)-7-[(2,4-dinitrophenyl)hydrazinylidene]-8-oxo-6-sulfonato-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate
OPENEYE Name: tripotassium 6-[[4-chloro-6-[[(7Z)-7-[(2,4-dinitrophenyl)hydrazono]-8-oxo-6-sulfonato-2-naphthyl]amino]-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate
IUPAC Name: tripotassium 6-[[4-chloro-6-[[(7Z)-7-[(2,4-dinitrophenyl)hydrazinylidene]-8-oxo-6-sulfonatonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate
SYSTEMATIC NAME: tripotassium 6-[[4-chloranyl-6-[[(7Z)-7-[(2,4-dinitrophenyl)hydrazinylidene]-8-oxidanylidene-6-sulfonato-naphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]naphthalene-1,3-disulfonate
MOLECULAR FORMULA: C29H15ClK3N9O14S3
MOLECULAR WEIGHT: 962.4242
SMILES: C1=CC2=C(C=C1NC3=NC(=NC(=N3)NC4=CC5=CC(=CC(=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl)C(=O)/C(=N/NC6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-])/C(=C2)S(=O)(=O)[O-].[K+].[K+].[K+]
Structure:
CAS RN: 137778-06-4
CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-(1-methylethenyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester
OPENEYE Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-isopropenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-prop-1-en-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-prop-1-en-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C21H21N5O8S2
MOLECULAR WEIGHT: 535.55014
SMILES: CC1=C(OC(=O)O1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)/C(=N/OC)/C4=CSC(=N4)N)C(=C)C
Structure:
CAS RN: 137778-03-1
CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-(1-methylethenyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester
OPENEYE Name: (3,3-dimethyl-2-oxo-butyl) (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-isopropenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: (3,3-dimethyl-2-oxobutyl) (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-prop-1-en-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (3,3-dimethyl-2-oxidanylidene-butyl) (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-prop-1-en-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C22H27N5O6S2
MOLECULAR WEIGHT: 521.60968
SMILES: CC(=C)C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)OCC(=O)C(C)(C)C
Structure:
CAS RN: 135613-36-4
CAS Name: 3-[2-[[(1S,2R,3R,4R)-3-[(E)-[[anilino(oxo)methyl]hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid
OPENEYE Name: 3-[2-[[(1S,2R,3R,4R)-3-[(E)-(phenylcarbamoylhydrazono)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid
IUPAC Name: 3-[2-[[(1S,2R,3R,4R)-3-[(E)-(phenylcarbamoylhydrazinylidene)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid
SYSTEMATIC NAME: 3-[2-[[(1S,2R,3R,4R)-3-[(E)-(phenylcarbamoylhydrazinylidene)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid
MOLECULAR FORMULA: C24H27N3O4
MOLECULAR WEIGHT: 421.48888
SMILES: C1C[C@@H]2[C@H]([C@H]([C@H]1O2)CC3=CC=CC=C3CCC(=O)O)/C=N/NC(=O)NC4=CC=CC=C4
Structure:
CAS RN: 134452-47-4
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[1-[[(3,4-dihydroxyphenyl)-oxomethyl]hydrazo]-2-methyl-1-oxopropan-2-yl]oxyimino-1-oxoethyl]amino]-3-[[[2-(hydroxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-e
OPENEYE Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[2-[2-(3,4-dihydroxybenzoyl)hydrazino]-1,1-dimethyl-2-oxo-ethoxy]imino-acetyl]amino]-3-[[2-(hydroxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxy
IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[1-[2-(3,4-dihydroxybenzoyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-3-[[2-(hydroxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[1-[2-[3,4-bis(oxidanyl)phenyl]carbonylhydrazinyl]-2-methyl-1-oxidanylidene-propan-2-yl]oxyimino-ethanoyl]amino]-3-[[2-(hydroxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxidanylidene-5
MOLECULAR FORMULA: C31H31N11O10S3
MOLECULAR WEIGHT: 813.84054
SMILES: CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4C(C(C4=O)NC(=O)/C(=N/OC(C)(C)C(=O)NNC(=O)C5=CC(=C(C=C5)O)O)/C6=CSC(=N6)N)SC3)C(=O)O)CO
Structure:
CAS RN: 132182-62-8
CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(2-carboxypropan-2-yloxyimino)-1-oxoethyl]amino]-3-[(Z)-2-(1,5-dihydroxy-4-oxo-2-pyridinyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(1-carboxy-1-methyl-ethoxy)imino-acetyl]amino]-3-[(Z)-2-(1,5-dihydroxy-4-oxo-2-pyridyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(Z)-2-(1,5-dihydroxy-4-oxopyridin-2-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-[(Z)-2-[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic a
MOLECULAR FORMULA: C23H22N6O10S2
MOLECULAR WEIGHT: 606.58498
SMILES: CC(C)(C(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C\C4=CC(=O)C(=CN4O)O)C(=O)O
Structure:
CAS RN: 131204-64-3
CAS Name: (4R)-4-[(7Z,8R,9S,10S,13R,14S,17R)-3-hydroxy-7-hydroxyimino-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4R)-4-[(7Z,8R,9S,10S,13R,14S,17R)-3-hydroxy-7-hydroxyimino-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4R)-4-[(7Z,8R,9S,10S,13R,14S,17R)-3-hydroxy-7-hydroxyimino-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(7Z,8R,9S,10S,13R,14S,17R)-7-hydroxyimino-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H39NO4
MOLECULAR WEIGHT: 405.57076
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2/C(=N\O)/CC4[C@@]3(CCC(C4)O)C)C
Structure:
CAS RN: 130853-14-4
CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[(R)-carboxy-(3,4-dihydroxyphenyl)methoxy]imino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[(R)-carboxy-(3,4-dihydroxyphenyl)methoxy]imino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(R)-carboxy-(3,4-dihydroxyphenyl)methoxy]iminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[(1R)-1-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C20H17N5O9S2
MOLECULAR WEIGHT: 535.50708
SMILES: C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N/O[C@H](C3=CC(=C(C=C3)O)O)C(=O)O)/C4=CSC(=N4)N)C(=O)O
Structure:
CAS RN: 76644-41-2
CAS Name: 1-[(E)-(4-hydroxy-5-nitro-2-furanyl)methylideneamino]imidazolidine-2,4-dione
OPENEYE Name: 1-[(E)-(4-hydroxy-5-nitro-2-furyl)methyleneamino]imidazolidine-2,4-dione
IUPAC Name: 1-[(E)-(4-hydroxy-5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
SYSTEMATIC NAME: 1-[(E)-(5-nitro-4-oxidanyl-furan-2-yl)methylideneamino]imidazolidine-2,4-dione
MOLECULAR FORMULA: C8H6N4O6
MOLECULAR WEIGHT: 254.15644
SMILES: C1C(=O)NC(=O)N1/N=C/C2=CC(=C(O2)[N+](=O)[O-])O
Structure:
CAS RN: 130493-03-7
CAS Name: (3Z)-N-[2-hydroxy-3-(1-piperidinyl)propoxy]-3-pyridinecarboximidoyl chloride
OPENEYE Name: (3Z)-N-[2-hydroxy-3-(1-piperidyl)propoxy]pyridine-3-carboximidoyl chloride
IUPAC Name: (3Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride
SYSTEMATIC NAME: (3Z)-N-(2-oxidanyl-3-piperidin-1-yl-propoxy)pyridine-3-carboximidoyl chloride
MOLECULAR FORMULA: C14H20ClN3O2
MOLECULAR WEIGHT: 297.7805
SMILES: C1CCN(CC1)CC(CO/N=C(/C2=CN=CC=C2)\Cl)O
Structure:
CAS RN: 128126-47-6
CAS Name: (E)-[[(2S,5S)-5-[3-(diaminomethylideneamino)propyl]-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methylhydrazo]methylideneurea
OPENEYE Name: (E)-[2-[[(2S,5S)-5-(3-guanidinopropyl)-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl]hydrazino]methyleneurea
IUPAC Name: (E)-[2-[[(2S,5S)-5-[3-(diaminomethylideneamino)propyl]-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl]hydrazinyl]methylideneurea
SYSTEMATIC NAME: (1E)-1-[[2-[[(2S,5S)-5-[3-[bis(azanyl)methylideneamino]propyl]-1-methyl-3,7-bis(oxidanylidene)-1,4-diazepan-2-yl]methyl]hydrazinyl]methylidene]urea
MOLECULAR FORMULA: C13H25N9O3
MOLECULAR WEIGHT: 355.3961
SMILES: CN1[C@H](C(=O)N[C@H](CC1=O)CCCN=C(N)N)CNN/C=N/C(=O)N
Structure:
CAS RN: 128126-46-5
CAS Name: (E)-[[(2R,5S)-5-[3-(diaminomethylideneamino)propyl]-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methylhydrazo]methylideneurea
OPENEYE Name: (E)-[2-[[(2R,5S)-5-(3-guanidinopropyl)-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl]hydrazino]methyleneurea
IUPAC Name: (E)-[2-[[(2R,5S)-5-[3-(diaminomethylideneamino)propyl]-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl]hydrazinyl]methylideneurea
SYSTEMATIC NAME: (1E)-1-[[2-[[(2R,5S)-5-[3-[bis(azanyl)methylideneamino]propyl]-1-methyl-3,7-bis(oxidanylidene)-1,4-diazepan-2-yl]methyl]hydrazinyl]methylidene]urea
MOLECULAR FORMULA: C13H25N9O3
MOLECULAR WEIGHT: 355.3961
SMILES: CN1[C@@H](C(=O)N[C@H](CC1=O)CCCN=C(N)N)CNN/C=N/C(=O)N
Structure:
CAS RN: 108532-15-6
CAS Name: 2-[amino-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexylimino]methyl]-1-(4-chlorophenyl)guanidine; 4-aminobenzoic acid ethyl ester; dihydrochloride
OPENEYE Name: (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine; ethyl 4-aminobenzoate; dihydrochloride
IUPAC Name: (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine; ethyl 4-aminobenzoate; dihydrochloride
SYSTEMATIC NAME: (1E)-2-[6-[[azanyl-[(E)-[azanyl-[(4-chlorophenyl)amino]methylidene]amino]methylidene]amino]hexyl]-1-[azanyl-[(4-chlorophenyl)amino]methylidene]guanidine; ethyl 4-azanylbenzoate; dihydrochloride
MOLECULAR FORMULA: C31H43Cl4N11O2
MOLECULAR WEIGHT: 743.55762
SMILES: CCOC(=O)C1=CC=C(C=C1)N.C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.Cl.Cl
Structure:
CAS RN: 126384-99-4
CAS Name: 2-[[5-[(E)-(2,4-dioxo-1-imidazolidinyl)iminomethyl]-2-thiophenyl]thio]benzoic acid
OPENEYE Name: 2-[[5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-2-thienyl]sulfanyl]benzoic acid
IUPAC Name: 2-[5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]thiophen-2-yl]sulfanylbenzoic acid
SYSTEMATIC NAME: 2-[5-[(E)-[2,4-bis(oxidanylidene)imidazolidin-1-yl]iminomethyl]thiophen-2-yl]sulfanylbenzoic acid
MOLECULAR FORMULA: C15H11N3O4S2
MOLECULAR WEIGHT: 361.39554
SMILES: C1C(=O)NC(=O)N1/N=C/C2=CC=C(S2)SC3=CC=CC=C3C(=O)O
Structure:
CAS RN: 126221-76-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H22N4O4
MOLECULAR WEIGHT: 466.48798
SMILES: CC12C(/C(=N\O)/CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)OC
Structure:
CAS RN: 115060-15-6
CAS Name: 2-(3-aminopropyl)-1-[(E)-(2,2-difluoro-1-phenylethylidene)amino]guanidine
OPENEYE Name: 2-(3-aminopropyl)-1-[(E)-(2,2-difluoro-1-phenyl-ethylidene)amino]guanidine
IUPAC Name: 2-(3-aminopropyl)-1-[(E)-(2,2-difluoro-1-phenylethylidene)amino]guanidine
SYSTEMATIC NAME: 2-(3-azanylpropyl)-1-[(E)-[2,2-bis(fluoranyl)-1-phenyl-ethylidene]amino]guanidine
MOLECULAR FORMULA: C12H17F2N5
MOLECULAR WEIGHT: 269.293686
SMILES: C1=CC=C(C=C1)/C(=N\NC(=NCCCN)N)/C(F)F
Structure:
CAS RN: 114991-34-3
CAS Name: (E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-1-hydroxy-3-[(R)-(pentylthio)methylsulfinyl]propan-2-yl]-2-propenamide
OPENEYE Name: (E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1S)-1-(hydroxymethyl)-2-[(R)-pentylsulfanylmethylsulfinyl]ethyl]prop-2-enamide
IUPAC Name: (E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-1-hydroxy-3-[(R)-pentylsulfanylmethylsulfinyl]propan-2-yl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N-[(2S)-1-oxidanyl-3-[(R)-pentylsulfanylmethylsulfinyl]propan-2-yl]prop-2-enamide
MOLECULAR FORMULA: C16H25N3O5S2
MOLECULAR WEIGHT: 403.5168
SMILES: CCCCCSC[S@](=O)C[C@H](CO)NC(=O)/C=C/C1=CNC(=O)NC1=O
Structure:
CAS RN: 105313-65-3
CAS Name: 2-(methylsulfinylmethyl)-3-[[(S)-methylsulfinyl]methyl]-4-nitro-1,2-dihydroimidazole; 5-nitro-1H-imidazole; ruthenium(2+); dichloride
OPENEYE Name: 2-(methylsulfinylmethyl)-3-[[(S)-methylsulfinyl]methyl]-4-nitro-1,2-dihydroimidazole; 5-nitro-1H-imidazole; ruthenium(2+); dichloride
IUPAC Name: 2-(methylsulfinylmethyl)-3-[[(S)-methylsulfinyl]methyl]-4-nitro-1,2-dihydroimidazole; 5-nitro-1H-imidazole; ruthenium(2+); dichloride
SYSTEMATIC NAME: 2-(methylsulfinylmethyl)-3-[[(S)-methylsulfinyl]methyl]-4-nitro-1,2-dihydroimidazole; 5-nitro-1H-imidazole; ruthenium(2+); dichloride
MOLECULAR FORMULA: C10H16Cl2N6O6RuS2
MOLECULAR WEIGHT: 552.37664
SMILES: C[S@](=O)CN1C(NC=C1[N+](=O)[O-])CS(=O)C.C1=C(NC=N1)[N+](=O)[O-].[Cl-].[Cl-].[Ru+2]
Structure:
CAS RN: 124986-46-5
CAS Name: 2-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-6-methylsulfonyl-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
OPENEYE Name: 2-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-6-methylsulfonyl-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
IUPAC Name: 2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-6-methylsulfonyl-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
SYSTEMATIC NAME: 2-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-6-methylsulfonyl-3-oxidanylidene-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
MOLECULAR FORMULA: C14H16N6O7S2
MOLECULAR WEIGHT: 444.44284
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)NC2CN3CC(=C(N3C2=O)C(=O)O)S(=O)(=O)C
Structure:
CAS RN: 124986-45-4
CAS Name: 2-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-6-cyano-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
OPENEYE Name: 2-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-6-cyano-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
IUPAC Name: 2-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-6-cyano-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
SYSTEMATIC NAME: 2-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-6-cyano-3-oxidanylidene-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
MOLECULAR FORMULA: C14H13N7O5S
MOLECULAR WEIGHT: 391.36192
SMILES: CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2CN3CC(=C(N3C2=O)C(=O)O)C#N
Structure:
CAS RN: 107555-22-6
CAS Name: acetic acid 2-[[[[(2Z)-2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]methoxy]ethyl ester
OPENEYE Name: 2-[[[(Z)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]methoxy]ethyl acetate
IUPAC Name: 2-[[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate
SYSTEMATIC NAME: 2-[[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl ethanoate
MOLECULAR FORMULA: C13H18N4O3S
MOLECULAR WEIGHT: 310.37202
SMILES: C/C(=N/NC(=S)NCOCCOC(=O)C)/C1=CC=CC=N1
Structure:
CAS RN: 123048-03-3
CAS Name: 4-methyl-N-[(Z)-(2-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
OPENEYE Name: 4-methyl-N-[(Z)-(2-phenyltetralin-1-ylidene)amino]benzenesulfonamide
IUPAC Name: 4-methyl-N-[(Z)-(2-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-[(Z)-(2-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
MOLECULAR FORMULA: C23H22N2O2S
MOLECULAR WEIGHT: 390.49798
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N/N=C\2/C(CCC3=CC=CC=C32)C4=CC=CC=C4
Structure:
CAS RN: 123035-67-6
CAS Name: 1-[(E)-[(1E)-1-[[amino(cyclopentylimino)methyl]hydrazinylidene]propan-2-ylidene]amino]-2-cyclopentylguanidine
OPENEYE Name: 2-cyclopentyl-1-[(E)-[(2E)-2-[(N'-cyclopentylcarbamimidoyl)hydrazono]-1-methyl-ethylidene]amino]guanidine
IUPAC Name: 2-cyclopentyl-1-[(E)-[(1E)-1-[(N'-cyclopentylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]guanidine
SYSTEMATIC NAME: 2-cyclopentyl-1-[(E)-[(1E)-1-[(N'-cyclopentylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]guanidine
MOLECULAR FORMULA: C15H28N8
MOLECULAR WEIGHT: 320.43642
SMILES: C/C(=N\NC(=NC1CCCC1)N)/C=N/NC(=NC2CCCC2)N
Structure:
CAS RN: 96164-19-1
CAS Name: 1-[(E)-(4-chlorophenyl)methylideneamino]oxy-3-[4-(2-chlorophenyl)-1-piperazinyl]-2-propanol
OPENEYE Name: 1-[(E)-(4-chlorophenyl)methyleneamino]oxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
IUPAC Name: 1-[(E)-(4-chlorophenyl)methylideneamino]oxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-[(E)-(4-chlorophenyl)methylideneamino]oxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C20H23Cl2N3O2
MOLECULAR WEIGHT: 408.32152
SMILES: C1CN(CCN1CC(CO/N=C/C2=CC=C(C=C2)Cl)O)C3=CC=CC=C3Cl
Structure:
CAS RN: 67568-62-1
CAS Name: 1-[(E)-(4-chlorophenyl)methylideneamino]oxy-3-[4-(2-chlorophenyl)-1-piperazinyl]-2-propanol hydrochloride
OPENEYE Name: 1-[(E)-(4-chlorophenyl)methyleneamino]oxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol hydrochloride
IUPAC Name: 1-[(E)-(4-chlorophenyl)methylideneamino]oxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol hydrochloride
SYSTEMATIC NAME: 1-[(E)-(4-chlorophenyl)methylideneamino]oxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol hydrochloride
MOLECULAR FORMULA: C20H24Cl3N3O2
MOLECULAR WEIGHT: 444.78246
SMILES: C1CN(CCN1CC(CO/N=C/C2=CC=C(C=C2)Cl)O)C3=CC=CC=C3Cl.Cl
Structure:
CAS RN: 122378-96-5
CAS Name: 2-(4-methyl-1-piperazinyl)-1-[4-(2-phenylethyl)phenyl]ethanone oxime hydrochloride
OPENEYE Name: 2-(4-methylpiperazin-1-yl)-1-[4-(2-phenylethyl)phenyl]ethanone oxime hydrochloride
IUPAC Name: (NZ)-N-[2-(4-methylpiperazin-1-yl)-1-[4-(2-phenylethyl)phenyl]ethylidene]hydroxylamine hydrochloride
SYSTEMATIC NAME: (NZ)-N-[2-(4-methylpiperazin-1-yl)-1-[4-(2-phenylethyl)phenyl]ethylidene]hydroxylamine hydrochloride
MOLECULAR FORMULA: C21H28ClN3O
MOLECULAR WEIGHT: 373.91952
SMILES: CN1CCN(CC1)C/C(=N\O)/C2=CC=C(C=C2)CCC3=CC=CC=C3.Cl
Structure:
CAS RN: 70081-94-6
CAS Name: (2E)-2-(2-cyclohexylethylhydrazinylidene)propanoic acid
OPENEYE Name: (2E)-2-(2-cyclohexylethylhydrazono)propanoic acid
IUPAC Name: (2E)-2-(2-cyclohexylethylhydrazinylidene)propanoic acid
SYSTEMATIC NAME: (2E)-2-(2-cyclohexylethylhydrazinylidene)propanoic acid
MOLECULAR FORMULA: C11H20N2O2
MOLECULAR WEIGHT: 212.2887
SMILES: C/C(=N\NCCC1CCCCC1)/C(=O)O
Structure:
CAS RN: 68657-13-6
CAS Name: (1E)-1-[(butoxyhydrazo)methylidene]-3-(2,6-dimethylphenyl)urea hydrochloride
OPENEYE Name: (1E)-1-[(2-butoxyhydrazino)methylene]-3-(2,6-dimethylphenyl)urea hydrochloride
IUPAC Name: (1E)-1-[(2-butoxyhydrazinyl)methylidene]-3-(2,6-dimethylphenyl)urea hydrochloride
SYSTEMATIC NAME: (1E)-1-[(2-butoxyhydrazinyl)methylidene]-3-(2,6-dimethylphenyl)urea hydrochloride
MOLECULAR FORMULA: C14H23ClN4O2
MOLECULAR WEIGHT: 314.81102
SMILES: CCCCONN/C=N/C(=O)NC1=C(C=CC=C1C)C.Cl
Structure:
CAS RN: 106611-58-9
CAS Name: (6E)-3-(diethylamino)-6-[(5-methyl-2-thiazolyl)hydrazinylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-3-(diethylamino)-6-[(5-methylthiazol-2-yl)hydrazono]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-3-(diethylamino)-6-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-3-(diethylamino)-6-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H18N4OS
MOLECULAR WEIGHT: 290.38392
SMILES: CCN(CC)C1=CC(=O)/C(=N/NC2=NC=C(S2)C)/C=C1
Structure:
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