CAS RN: 2946-98-7
CAS Name: 4-[[4-(methylamino)phenyl]hydrazinylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[[4-(methylamino)phenyl]hydrazono]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[[4-(methylamino)phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[[4-(methylamino)phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C13H13N3O
MOLECULAR WEIGHT: 227.26182
SMILES: CNC1=CC=C(C=C1)NN=C2C=CC(=O)C=C2
Structure:
CAS RN: 140210-44-2
CAS Name: N1,N2-dimethoxy-3,3,5,5-tetramethylcyclopentane-1,2-diimine
OPENEYE Name: N1,N2-dimethoxy-3,3,5,5-tetramethyl-cyclopentane-1,2-diimine
IUPAC Name: 1-N,2-N-dimethoxy-3,3,5,5-tetramethylcyclopentane-1,2-diimine
SYSTEMATIC NAME: N1,N2-dimethoxy-3,3,5,5-tetramethyl-cyclopentane-1,2-diimine
MOLECULAR FORMULA: C11H20N2O2
MOLECULAR WEIGHT: 212.2887
SMILES: CC1(/C(=N\OC)/C(=N/OC)/C(C1)(C)C)C
Structure:
CAS RN: 140210-45-3
CAS Name: N1,N2-dimethoxy-3,3,5,5-tetramethylcyclopentane-1,2-diimine
OPENEYE Name: N1,N2-dimethoxy-3,3,5,5-tetramethyl-cyclopentane-1,2-diimine
IUPAC Name: 1-N,2-N-dimethoxy-3,3,5,5-tetramethylcyclopentane-1,2-diimine
SYSTEMATIC NAME: N1,N2-dimethoxy-3,3,5,5-tetramethyl-cyclopentane-1,2-diimine
MOLECULAR FORMULA: C11H20N2O2
MOLECULAR WEIGHT: 212.2887
SMILES: CC\1(CC(/C(=N\OC)/C1=N\OC)(C)C)C
Structure:
CAS RN: 140401-51-0
CAS Name: N1,N2-dimethoxy-3,3,5,5-tetramethylcyclopentane-1,2-diimine
OPENEYE Name: N1,N2-dimethoxy-3,3,5,5-tetramethyl-cyclopentane-1,2-diimine
IUPAC Name: 1-N,2-N-dimethoxy-3,3,5,5-tetramethylcyclopentane-1,2-diimine
SYSTEMATIC NAME: N1,N2-dimethoxy-3,3,5,5-tetramethyl-cyclopentane-1,2-diimine
MOLECULAR FORMULA: C11H20N2O2
MOLECULAR WEIGHT: 212.2887
SMILES: CC1(/C(=N/OC)/C(=N\OC)/C(C1)(C)C)C
Structure:
CAS RN: 113917-64-9
CAS Name: (2E)-2-(4-methoxyanilino)-2-(1-methyl-3-oxo-2-indolylidene)acetic acid methyl ester
OPENEYE Name: methyl (2E)-2-(4-methoxyanilino)-2-(1-methyl-3-oxo-indolin-2-ylidene)acetate
IUPAC Name: methyl (2E)-2-(4-methoxyanilino)-2-(1-methyl-3-oxoindol-2-ylidene)acetate
SYSTEMATIC NAME: methyl (2E)-2-[(4-methoxyphenyl)amino]-2-(1-methyl-3-oxidanylidene-indol-2-ylidene)ethanoate
MOLECULAR FORMULA: C19H18N2O4
MOLECULAR WEIGHT: 338.35722
SMILES: CN\1C2=CC=CC=C2C(=O)/C1=C(/C(=O)OC)\NC3=CC=C(C=C3)OC
Structure:
CAS RN: 111652-29-0
CAS Name: 2-[[(2S)-2-[[2-[[(2S)-2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]propanoic acid
OPENEYE Name: 2-[[(2S)-2-[2-[[(2S)-2-[2-(2-aminopropanoylamino)propanoylamino]propanoyl]amino]propanoylamino]propanoyl]amino]propanoic acid
IUPAC Name: 2-[[(2S)-2-[2-[[(2S)-2-[2-(2-aminopropanoylamino)propanoylamino]propanoyl]amino]propanoylamino]propanoyl]amino]propanoic acid
SYSTEMATIC NAME: 2-[[(2S)-2-[2-[[(2S)-2-[2-(2-azanylpropanoylamino)propanoylamino]propanoyl]amino]propanoylamino]propanoyl]amino]propanoic acid
MOLECULAR FORMULA: C18H32N6O7
MOLECULAR WEIGHT: 444.48268
SMILES: C[C@@H](C(=O)NC(C)C(=O)O)NC(=O)C(C)NC(=O)[C@H](C)NC(=O)C(C)NC(=O)C(C)N
Structure:
CAS RN: 84954-88-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H18
MOLECULAR WEIGHT: 234.33552
SMILES: C1/C/2=C/C=C(\C=C/C=C2)/CCC3=CC=C(C1)C=C3
Structure:
CAS RN: 63052-10-8
CAS Name: (3E)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(6-oxo-1-cyclohexa-2,4-dienylidene)propanenitrile
OPENEYE Name: (3E)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)propanenitrile
IUPAC Name: (3E)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)propanenitrile
SYSTEMATIC NAME: (3E)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)propanenitrile
MOLECULAR FORMULA: C16H11N3O
MOLECULAR WEIGHT: 261.27804
SMILES: C1=CC=C2C(=C1)NC(=C(/C=C/3\C=CC=CC3=O)C#N)N2
Structure:
CAS RN: 62678-54-0
CAS Name: 1-[(3R)-4-(1-cyclohexenyl)-2,2,5,5-tetramethylhexan-3-yl]cyclohexene
OPENEYE Name: 1-[(1R)-1-tert-butyl-2-(cyclohexen-1-yl)-3,3-dimethyl-butyl]cyclohexene
IUPAC Name: 1-[(3R)-4-(cyclohexen-1-yl)-2,2,5,5-tetramethylhexan-3-yl]cyclohexene
SYSTEMATIC NAME: 1-[(3R)-4-(cyclohexen-1-yl)-2,2,5,5-tetramethyl-hexan-3-yl]cyclohexene
MOLECULAR FORMULA: C22H38
MOLECULAR WEIGHT: 302.53712
SMILES: CC(C)(C)[C@H](C1=CCCCC1)C(C2=CCCCC2)C(C)(C)C
Structure:
CAS RN: 33719-95-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H36N4O3
MOLECULAR WEIGHT: 548.67464
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(=O)C5)CCC(=O)OC)C)C)CC)C
Structure:
CAS RN: 20485-53-4
CAS Name: (Z)-3-chloro-1-diazonio-1-propen-2-olate
OPENEYE Name: (Z)-3-chloro-1-diazonio-prop-1-en-2-olate
IUPAC Name: (Z)-3-chloro-1-diazonioprop-1-en-2-olate
SYSTEMATIC NAME: (Z)-3-chloranyl-1-diazonio-prop-1-en-2-olate
MOLECULAR FORMULA: C3H3ClN2O
MOLECULAR WEIGHT: 118.52172
SMILES: C(/C(=C/[N+]#N)/[O-])Cl
Structure:
CAS RN: 17870-64-3
CAS Name: (Z)-1,3-dimethoxy-3-oxo-2-(1-quinolin-1-iumyl)-1-propen-1-olate
OPENEYE Name: (Z)-1,3-dimethoxy-3-oxo-2-quinolin-1-ium-1-yl-prop-1-en-1-olate
IUPAC Name: (Z)-1,3-dimethoxy-3-oxo-2-quinolin-1-ium-1-ylprop-1-en-1-olate
SYSTEMATIC NAME: (Z)-1,3-dimethoxy-3-oxidanylidene-2-quinolin-1-ium-1-yl-prop-1-en-1-olate
MOLECULAR FORMULA: C14H13NO4
MOLECULAR WEIGHT: 259.25732
SMILES: CO/C(=C(/C(=O)OC)\[N+]1=CC=CC2=CC=CC=C21)/[O-]
Structure:
CAS RN: 88389-69-9
CAS Name: (4S)-5-[[(2S)-1-[(2S)-2-[[[2-[(2S)-2-[[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]-oxomethyl]-1-pyrrolidinyl]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-meth
OPENEYE Name: (4S)-4-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-5-[[(1S)-1-[(2S)-2-[[2-[(2S)-2-[[(1S)-1-carbamoyl-4-guanidino-butyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]pyrrolidine-1-c
IUPAC Name: (4S)-5-[[(2S)-1-[(2S)-2-[[2-[(2S)-2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino
SYSTEMATIC NAME: (4S)-5-[[(2S)-1-[(2S)-2-[[2-[(2S)-2-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-[2-[[(2S)-2-[
MOLECULAR FORMULA: C43H72N14O14
MOLECULAR WEIGHT: 1009.11718
SMILES: C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](C(C)C)N
Structure:
CAS RN: 10183-34-3
CAS Name: (2R)-2-[[(2R)-2-[[2-[[2-[[(2R)-2-amino-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]propanoic acid
OPENEYE Name: (2R)-2-[[(2R)-2-[2-[2-[[(2R)-2-aminopropanoyl]amino]propanoylamino]propanoylamino]propanoyl]amino]propanoic acid
IUPAC Name: (2R)-2-[[(2R)-2-[2-[2-[[(2R)-2-aminopropanoyl]amino]propanoylamino]propanoylamino]propanoyl]amino]propanoic acid
SYSTEMATIC NAME: (2R)-2-[[(2R)-2-[2-[2-[[(2R)-2-azanylpropanoyl]amino]propanoylamino]propanoylamino]propanoyl]amino]propanoic acid
MOLECULAR FORMULA: C15H27N5O6
MOLECULAR WEIGHT: 373.40478
SMILES: C[C@H](C(=O)NC(C)C(=O)NC(C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)N
Structure:
CAS RN: 88217-23-6
CAS Name: (2Z)-N-[3-[3-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]propyl-[[(2Z,4S,5R)-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-5-methyl-4-oxazolidinyl]-oxomethyl]amino]propyl]-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-5-methyl-4-oxazolidinecarboxamide
OPENEYE Name: (2Z)-N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[(2Z,4S,5R)-2-(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5-methyl-oxazolidine-4-carbonyl]amino]propyl]-2-(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5-methyl-oxazolidine-4-carboxamide
IUPAC Name: (2Z)-N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[(2Z,4S,5R)-2-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]propyl]-2-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5-methyl-1,3-oxazolidine-4-carboxamide
SYSTEMATIC NAME: (2Z)-N-[3-[3-[[2,3-bis(oxidanyl)phenyl]carbonylamino]propyl-[[(2Z,4S,5R)-5-methyl-2-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidin-4-yl]carbonyl]amino]propyl]-5-methyl-2-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1
MOLECULAR FORMULA: C35H39N5O11
MOLECULAR WEIGHT: 705.71106
SMILES: C[C@@H]1[C@H](N/C(=C/2\C=CC=C(C2=O)O)/O1)C(=O)N(CCCNC(=O)C3C(O/C(=C\4/C=CC=C(C4=O)O)/N3)C)CCCNC(=O)C5=C(C(=CC=C5)O)O
Structure:
CAS RN: 88194-24-5
CAS Name: (2R)-2-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]pentanedioic acid
OPENEYE Name: (2R)-2-[[(1S)-3-amino-1-carboxy-3-oxo-propyl]amino]pentanedioic acid
IUPAC Name: (2R)-2-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2R)-2-[[(2S)-4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]pentanedioic acid
MOLECULAR FORMULA: C9H14N2O7
MOLECULAR WEIGHT: 262.21666
SMILES: C(CC(=O)O)[C@H](C(=O)O)N[C@@H](CC(=O)N)C(=O)O
Structure:
CAS RN: 88167-28-6
CAS Name: (2S,3R)-2-[[(2S)-2-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-hydroxybutanoic acid
OPENEYE Name: (2S,3R)-2-[[(2S)-2-[(2,3-dihydroxybenzoyl)amino]propanoyl]amino]-3-hydroxy-butanoic acid
IUPAC Name: (2S,3R)-2-[[(2S)-2-[(2,3-dihydroxybenzoyl)amino]propanoyl]amino]-3-hydroxybutanoic acid
SYSTEMATIC NAME: (2S,3R)-2-[[(2S)-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]propanoyl]amino]-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C14H18N2O7
MOLECULAR WEIGHT: 326.30192
SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)C1=C(C(=CC=C1)O)O)O
Structure:
CAS RN: 87872-71-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H22N3O5+
MOLECULAR WEIGHT: 396.41648
SMILES: C=CC[N+]1=CCC23[C@@H]4C5(CCC2([C@@H]1CC6=C3C(=C(C=C6)O)O4)O)C(=O)NC(=O)N5
Structure:
CAS RN: 87668-74-4
CAS Name: [(2R)-2-[(1R)-1-(4-amino-2-oxo-1-pyrimidinyl)-2-oxoethoxy]-3-oxopropyl] phosphono hydrogen phosphate
OPENEYE Name: [(2R)-2-[(1R)-1-(4-amino-2-oxo-pyrimidin-1-yl)-2-oxo-ethoxy]-3-oxo-propyl] phosphono hydrogen phosphate
IUPAC Name: [(2R)-2-[(1R)-1-(4-amino-2-oxopyrimidin-1-yl)-2-oxoethoxy]-3-oxopropyl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2R)-2-[(1R)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propyl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C9H13N3O11P2
MOLECULAR WEIGHT: 401.160542
SMILES: C1=CN(C(=O)N=C1N)[C@@H](C=O)O[C@H](COP(=O)(O)OP(=O)(O)O)C=O
Structure:
CAS RN: 87592-85-6
CAS Name: 7-methoxy-6-[(1R)-1-[1-(7-methoxy-2,2-dimethyl-1-benzopyran-6-yl)ethoxy]ethyl]-2,2-dimethyl-1-benzopyran
OPENEYE Name: 7-methoxy-6-[(1R)-1-[1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethoxy]ethyl]-2,2-dimethyl-chromene
IUPAC Name: 7-methoxy-6-[(1R)-1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene
SYSTEMATIC NAME: 7-methoxy-6-[(1R)-1-[1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethoxy]ethyl]-2,2-dimethyl-chromene
MOLECULAR FORMULA: C28H34O5
MOLECULAR WEIGHT: 450.56656
SMILES: C[C@H](C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC)OC(C)C3=C(C=C4C(=C3)C=CC(O4)(C)C)OC
Structure:
CAS RN: 246-42-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H18N6
MOLECULAR WEIGHT: 438.48272
SMILES: C1=CC=C2C(=C1)C3=NC4=CC(=CC=C4)N=C5C6=CC=CC=C6C(=NC7=CC=CC(=C7)N=C2N3)N5
Structure:
CAS RN: 1096-58-8
CAS Name: 5-hydroxy-3-(4-hydroxyphenyl)-6,7-dimethoxy-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-3-(4-hydroxyphenyl)-6,7-dimethoxy-chromen-4-one
IUPAC Name: 5-hydroxy-3-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)-6,7-dimethoxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C17H14O6
MOLECULAR WEIGHT: 314.28946
SMILES: COC1=C(C(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O)OC
Structure:
CAS RN: 87496-48-8
CAS Name: (3E)-1-octyl-3-(3-oxo-1H-indol-2-ylidene)-2-indolone
OPENEYE Name: (3E)-1-octyl-3-(3-oxoindolin-2-ylidene)indolin-2-one
IUPAC Name: (3E)-1-octyl-3-(3-oxo-1H-indol-2-ylidene)indol-2-one
SYSTEMATIC NAME: (3E)-1-octyl-3-(3-oxidanylidene-1H-indol-2-ylidene)indol-2-one
MOLECULAR FORMULA: C24H26N2O2
MOLECULAR WEIGHT: 374.47544
SMILES: CCCCCCCCN1C2=CC=CC=C2/C(=C\3/C(=O)C4=CC=CC=C4N3)/C1=O
Structure:
CAS RN: 87376-16-7
CAS Name: 2,4-dichloro-6-(5-chloro-3-nitro-1H-pyrrol-2-yl)phenol
OPENEYE Name: 2,4-dichloro-6-(5-chloro-3-nitro-1H-pyrrol-2-yl)phenol
IUPAC Name: 2,4-dichloro-6-(5-chloro-3-nitro-1H-pyrrol-2-yl)phenol
SYSTEMATIC NAME: 2,4-bis(chloranyl)-6-(5-chloranyl-3-nitro-1H-pyrrol-2-yl)phenol
MOLECULAR FORMULA: C10H5Cl3N2O3
MOLECULAR WEIGHT: 307.5173
SMILES: C1=C(C=C(C(=C1Cl)O)C2=C(C=C(N2)Cl)[N+](=O)[O-])Cl
Structure:
CAS RN: 87184-16-5
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3-fluorophenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3-fluorophenyl)propanoyl]amino]propanoyl]amino]propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3-fluorophenyl)propanoyl]amino]propanoyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(3-fluorophenyl)propanoyl]amino]propanoyl]amino]propanoic acid
MOLECULAR FORMULA: C15H20FN3O4
MOLECULAR WEIGHT: 325.335403
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC1=CC(=CC=C1)F)N
Structure:
CAS RN: 87107-94-6
CAS Name: N3-[3-[3-[(4-methyl-1-piperidinyl)methyl]phenoxy]propyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine
OPENEYE Name: N3-[3-[3-[(4-methyl-1-piperidyl)methyl]phenoxy]propyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine
IUPAC Name: 3-N-[3-[3-[(4-methylpiperidin-1-yl)methyl]phenoxy]propyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine
SYSTEMATIC NAME: N3-[3-[3-[(4-methylpiperidin-1-yl)methyl]phenoxy]propyl]-1-oxidanylidene-1,2,5-thiadiazole-3,4-diamine
MOLECULAR FORMULA: C18H27N5O2S
MOLECULAR WEIGHT: 377.50428
SMILES: CC1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NS(=O)N=C3N
Structure:
CAS RN: 86680-32-2
CAS Name: 1,5-dihydroxy-3,4-dimethoxy-10-methyl-9-acridinone
OPENEYE Name: 1,5-dihydroxy-3,4-dimethoxy-10-methyl-acridin-9-one
IUPAC Name: 1,5-dihydroxy-3,4-dimethoxy-10-methylacridin-9-one
SYSTEMATIC NAME: 3,4-dimethoxy-10-methyl-1,5-bis(oxidanyl)acridin-9-one
MOLECULAR FORMULA: C16H15NO5
MOLECULAR WEIGHT: 301.294
SMILES: CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)OC)OC
Structure:
CAS RN: 86546-87-4
CAS Name: 3-[[5-hydroxy-2-(4-hydroxy-1-cyclohexa-2,4-dienyl)-4-oxo-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-3-yl]oxy]-3-oxopropanoic acid
OPENEYE Name: 3-[5-hydroxy-2-(4-hydroxycyclohexa-2,4-dien-1-yl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-3-yl]oxy-3-oxo-propanoic acid
IUPAC Name: 3-[5-hydroxy-2-(4-hydroxycyclohexa-2,4-dien-1-yl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-3-oxopropanoic acid
SYSTEMATIC NAME: 3-[7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-2-(4-oxidanylcyclohexa-2,4-dien-1-yl)-4-oxidanylidene-chromen-3-yl]oxy-3-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C24H23O14
MOLECULAR WEIGHT: 535.43102
SMILES: C1=CC(=C[CH]C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC(=O)CC(=O)O)O
Structure:
CAS RN: 24761-88-4
CAS Name: (E)-1-butoxy-2-diazonioethenolate
OPENEYE Name: (E)-1-butoxy-2-diazonio-ethenolate
IUPAC Name: (E)-1-butoxy-2-diazonioethenolate
SYSTEMATIC NAME: (E)-1-butoxy-2-diazonio-ethenolate
MOLECULAR FORMULA: C6H10N2O2
MOLECULAR WEIGHT: 142.1558
SMILES: CCCCO/C(=C/[N+]#N)/[O-]
Structure:
CAS RN: 549-31-5
CAS Name: sulfuric acid [5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester
OPENEYE Name: [5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-chromen-3-yl] hydrogen sulfate
IUPAC Name: [5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl] hydrogen sulfate
SYSTEMATIC NAME: [2-(3-methoxy-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl] hydrogen sulfate
MOLECULAR FORMULA: C16H12O10S
MOLECULAR WEIGHT: 396.32548
SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)O
Structure:
CAS RN: 109875-51-6
CAS Name: 2-(4-nitrophenyl)-3,7-dihydropurin-6-one
OPENEYE Name: 2-(4-nitrophenyl)-3,7-dihydropurin-6-one
IUPAC Name: 2-(4-nitrophenyl)-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 2-(4-nitrophenyl)-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C11H7N5O3
MOLECULAR WEIGHT: 257.20498
SMILES: C1=CC(=CC=C1C2=NC(=O)C3=C(N2)N=CN3)[N+](=O)[O-]
Structure:
CAS RN: 107997-81-9
CAS Name: (5E)-5-(hydroxymethylidene)-2-furanone
OPENEYE Name: (5E)-5-(hydroxymethylene)furan-2-one
IUPAC Name: (5E)-5-(hydroxymethylidene)furan-2-one
SYSTEMATIC NAME: (5E)-5-(oxidanylmethylidene)furan-2-one
MOLECULAR FORMULA: C5H4O3
MOLECULAR WEIGHT: 112.08346
SMILES: C\1=CC(=O)O/C1=C/O
Structure:
CAS RN: 107609-68-7
CAS Name: 8-methyl-3H-imidazo[4,5-f]quinoxalin-2-amine
OPENEYE Name: 8-methyl-3H-imidazo[4,5-f]quinoxalin-2-amine
IUPAC Name: 8-methyl-3H-imidazo[4,5-f]quinoxalin-2-amine
SYSTEMATIC NAME: 8-methyl-3H-imidazo[4,5-f]quinoxalin-2-amine
MOLECULAR FORMULA: C10H9N5
MOLECULAR WEIGHT: 199.21196
SMILES: CC1=CN=C2C=CC3=C(C2=N1)N=C(N3)N
Structure:
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