CAS RN: 977-96-8
CAS Name: (2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]quinoline iodide
OPENEYE Name: (2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]quinoline iodide
IUPAC Name: (2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline iodide
SYSTEMATIC NAME: (2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline iodide
MOLECULAR FORMULA: C23H23IN2
MOLECULAR WEIGHT: 454.34659
SMILES: CCN1/C(=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[I-]
Structure:
CAS RN: 188653-03-4
CAS Name: (2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]quinoline iodide
OPENEYE Name: (2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]quinoline iodide
IUPAC Name: (2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline iodide
SYSTEMATIC NAME: (2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline iodide
MOLECULAR FORMULA: C23H23IN2
MOLECULAR WEIGHT: 454.34659
SMILES: CCN1/C(=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[I-]
Structure:
CAS RN: 847-85-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H25NO3
MOLECULAR WEIGHT: 303.396
SMILES: CN1CC[C@]23CCC[C@@H]([C@H]2[C@H]1CC4=C3C(=C(C=C4)OC)O)O
Structure:
CAS RN: 630-86-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H26ClNO3
MOLECULAR WEIGHT: 411.92114
SMILES: CN1CC[C@]23C4[C@H]1CC5=C2C(=C(C=C5)OCC6=CC=CC=C6)OC3[C@H](C=C4)O.Cl
Structure:
CAS RN: 153-17-3
CAS Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(hydroxymethyl)-3-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-6-(hydroxymethyl)-3-[6-[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C28H32O17
MOLECULAR WEIGHT: 640.54348
SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=C(C(=C4C3=O)O)CO)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
Structure:
CAS RN: 143-98-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H29NO7
MOLECULAR WEIGHT: 407.45746
SMILES: CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 7269-62-7
CAS Name: 7-nitroso-2,3-dihydro-1H-triazolo[4,5-d]pyrimidine
OPENEYE Name: 7-nitroso-2,3-dihydro-1H-triazolo[4,5-d]pyrimidine
IUPAC Name: 7-nitroso-2,3-dihydro-1H-triazolo[4,5-d]pyrimidine
SYSTEMATIC NAME: 7-nitroso-2,3-dihydro-1H-[1,2,3]triazolo[4,5-d]pyrimidine
MOLECULAR FORMULA: C4H4N6O
MOLECULAR WEIGHT: 152.11416
SMILES: C1=NC(=C2C(=N1)NNN2)N=O
Structure:
CAS RN: 781-66-8
CAS Name: [[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methyl]amino]urea
OPENEYE Name: [[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]amino]urea
IUPAC Name: [[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]amino]urea
SYSTEMATIC NAME: 1-[[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]amino]urea
MOLECULAR FORMULA: C9H12N4O3
MOLECULAR WEIGHT: 224.21658
SMILES: CC1=NC=C(/C(=C/NNC(=O)N)/C1=O)CO
Structure:
CAS RN: 10402-84-3
CAS Name: (4Z)-4-[(2,2-dimethylhydrazinyl)methylidene]-5-(hydroxymethyl)-2-methyl-3-pyridinone
OPENEYE Name: (4Z)-4-[(2,2-dimethylhydrazino)methylene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one
IUPAC Name: (4Z)-4-[(2,2-dimethylhydrazinyl)methylidene]-5-(hydroxymethyl)-2-methylpyridin-3-one
SYSTEMATIC NAME: (4Z)-4-[(2,2-dimethylhydrazinyl)methylidene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one
MOLECULAR FORMULA: C10H15N3O2
MOLECULAR WEIGHT: 209.245
SMILES: CC1=NC=C(/C(=C/NN(C)C)/C1=O)CO
Structure:
CAS RN: 40074-04-2
CAS Name: 1-cyano-2,3-bis(hydroxymethyl)guanidine
OPENEYE Name: 1-cyano-2,3-bis(hydroxymethyl)guanidine
IUPAC Name: 1-cyano-2,3-bis(hydroxymethyl)guanidine
SYSTEMATIC NAME: 1-cyano-2,3-bis(hydroxymethyl)guanidine
MOLECULAR FORMULA: C4H8N4O2
MOLECULAR WEIGHT: 144.13192
SMILES: C(N/C(=N\CO)/NC#N)O
Structure:
CAS RN: 2089-33-0
CAS Name: 1-(4-methylphenyl)ethanone oxime
OPENEYE Name: 1-(p-tolyl)ethanone oxime
IUPAC Name: (NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: CC1=CC=C(C=C1)/C(=N/O)/C
Structure:
CAS RN: 3622-69-3
CAS Name: [(Z)-octan-2-ylideneamino]urea
OPENEYE Name: [(Z)-1-methylheptylideneamino]urea
IUPAC Name: [(Z)-octan-2-ylideneamino]urea
SYSTEMATIC NAME: 1-[(Z)-octan-2-ylideneamino]urea
MOLECULAR FORMULA: C9H19N3O
MOLECULAR WEIGHT: 185.26666
SMILES: CCCCCC/C(=N\NC(=O)N)/C
Structure:
CAS RN: 59405-30-0
CAS Name: 6-imino-5-[[4-[[(4-methylcyclohexyl)oxy-oxomethyl]amino]-2-sulfophenyl]hydrazo]-4-oxo-2-naphthalenesulfonic acid
OPENEYE Name: 6-imino-5-[2-[4-[(4-methylcyclohexoxy)carbonylamino]-2-sulfo-phenyl]hydrazino]-4-oxo-naphthalene-2-sulfonic acid
IUPAC Name: 6-imino-5-[2-[4-[(4-methylcyclohexyl)oxycarbonylamino]-2-sulfophenyl]hydrazinyl]-4-oxonaphthalene-2-sulfonic acid
SYSTEMATIC NAME: 6-azanylidene-5-[2-[4-[(4-methylcyclohexyl)oxycarbonylamino]-2-sulfo-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C24H26N4O9S2
MOLECULAR WEIGHT: 578.61464
SMILES: CC1CCC(CC1)OC(=O)NC2=CC(=C(C=C2)NNC3=C4C(=CC(=CC4=O)S(=O)(=O)O)C=CC3=N)S(=O)(=O)O
Structure:
CAS RN: 59223-29-9
CAS Name: 5-[(4-chloro-5-methyl-2-sulfophenyl)hydrazo]-6-imino-4-oxo-2-naphthalenesulfonic acid
OPENEYE Name: 5-[2-(4-chloro-5-methyl-2-sulfo-phenyl)hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonic acid
IUPAC Name: 5-[2-(4-chloro-5-methyl-2-sulfophenyl)hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid
SYSTEMATIC NAME: 6-azanylidene-5-[2-(4-chloranyl-5-methyl-2-sulfo-phenyl)hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C17H14ClN3O7S2
MOLECULAR WEIGHT: 471.89196
SMILES: CC1=CC(=C(C=C1Cl)S(=O)(=O)O)NNC2=C3C(=CC(=CC3=O)S(=O)(=O)O)C=CC2=N
Structure:
CAS RN: 5939-37-7
CAS Name: (2S)-2-[[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[2,4-bis(azanyl)-7-oxidanylidene-8H-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H22N8O6
MOLECULAR WEIGHT: 470.43868
SMILES: CN(CC1=NC2=C(NC1=O)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 79953-01-8
CAS Name: 2-amino-8-[(4-methylphenyl)hydrazo]-6-purinone
OPENEYE Name: 2-amino-8-[2-(p-tolyl)hydrazino]purin-6-one
IUPAC Name: 2-amino-8-[2-(4-methylphenyl)hydrazinyl]purin-6-one
SYSTEMATIC NAME: 2-azanyl-8-[2-(4-methylphenyl)hydrazinyl]purin-6-one
MOLECULAR FORMULA: C12H11N7O
MOLECULAR WEIGHT: 269.26204
SMILES: CC1=CC=C(C=C1)NNC2=NC3=NC(=NC(=O)C3=N2)N
Structure:
CAS RN: 79953-02-9
CAS Name: 2-amino-8-[(4-bromophenyl)hydrazo]-6-purinone
OPENEYE Name: 2-amino-8-[2-(4-bromophenyl)hydrazino]purin-6-one
IUPAC Name: 2-amino-8-[2-(4-bromophenyl)hydrazinyl]purin-6-one
SYSTEMATIC NAME: 2-azanyl-8-[2-(4-bromophenyl)hydrazinyl]purin-6-one
MOLECULAR FORMULA: C11H8BrN7O
MOLECULAR WEIGHT: 334.13152
SMILES: C1=CC(=CC=C1NNC2=NC3=NC(=NC(=O)C3=N2)N)Br
Structure:
CAS RN: 79953-00-7
CAS Name: 2-amino-8-(phenylhydrazo)-6-purinone
OPENEYE Name: 2-amino-8-(2-phenylhydrazino)purin-6-one
IUPAC Name: 2-amino-8-(2-phenylhydrazinyl)purin-6-one
SYSTEMATIC NAME: 2-azanyl-8-(2-phenylhydrazinyl)purin-6-one
MOLECULAR FORMULA: C11H9N7O
MOLECULAR WEIGHT: 255.23546
SMILES: C1=CC=C(C=C1)NNC2=NC3=NC(=NC(=O)C3=N2)N
Structure:
CAS RN: 65582-53-8
CAS Name: (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoic acid [(7S,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl ester
OPENEYE Name: [(7S,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methyl-butanoate
IUPAC Name: [(7S,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoate
SYSTEMATIC NAME: [(7S,8R)-4-oxidanidyl-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-[(1S)-1-methoxyethyl]-3-methyl-2,3-bis(oxidanyl)butanoate
MOLECULAR FORMULA: C16H27NO7
MOLECULAR WEIGHT: 345.38808
SMILES: C[C@@H]([C@](C(=O)OCC1=CC[N+]2([C@H]1[C@H](CC2)O)[O-])(C(C)(C)O)O)OC
Structure:
CAS RN: 29866-18-0
CAS Name: 6-(phenylmethyl)-7H-purine
OPENEYE Name: 6-benzyl-7H-purine
IUPAC Name: 6-benzyl-7H-purine
SYSTEMATIC NAME: 6-(phenylmethyl)-7H-purine
MOLECULAR FORMULA: C12H10N4
MOLECULAR WEIGHT: 210.2346
SMILES: C1=CC=C(C=C1)CC2=C3C(=NC=N2)N=CN3
Structure:
CAS RN: 19701-83-8
CAS Name: (2S)-2-acetamido-N-methylpropanamide
OPENEYE Name: (2S)-2-acetamido-N-methyl-propanamide
IUPAC Name: (2S)-2-acetamido-N-methylpropanamide
SYSTEMATIC NAME: (2S)-2-acetamido-N-methyl-propanamide
MOLECULAR FORMULA: C6H12N2O2
MOLECULAR WEIGHT: 144.17168
SMILES: C[C@@H](C(=O)NC)NC(=O)C
Structure:
CAS RN: 29070-92-6
CAS Name: (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methyleneheptanoic acid
OPENEYE Name: (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetoxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylene-heptanoic acid
IUPAC Name: (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
SYSTEMATIC NAME: (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-16-oxidanyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylidene-heptanoic acid
MOLECULAR FORMULA: C33H52O5
MOLECULAR WEIGHT: 528.76298
SMILES: CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)O)C(=O)O
Structure:
CAS RN: 4450-98-0
CAS Name: (4Z)-4-[ethoxy(hydroxy)methylidene]-1-(phenylmethyl)pyrrolidine-2,3-dione
OPENEYE Name: (4Z)-1-benzyl-4-[ethoxy(hydroxy)methylene]pyrrolidine-2,3-dione
IUPAC Name: (4Z)-1-benzyl-4-[ethoxy(hydroxy)methylidene]pyrrolidine-2,3-dione
SYSTEMATIC NAME: (4Z)-4-[ethoxy(oxidanyl)methylidene]-1-(phenylmethyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C14H15NO4
MOLECULAR WEIGHT: 261.2732
SMILES: CCO/C(=C\1/CN(C(=O)C1=O)CC2=CC=CC=C2)/O
Structure:
CAS RN: 53430-55-0
CAS Name: [[5-methyl-2-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-3-indolylidene]amino]thiourea
OPENEYE Name: [[5-methyl-2-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]indolin-3-ylidene]amino]thiourea
IUPAC Name: [[5-methyl-2-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-ylidene]amino]thiourea
SYSTEMATIC NAME: 1-[[1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5-methyl-2-oxidanylidene-indol-3-ylidene]amino]thiourea
MOLECULAR FORMULA: C16H20N4O6S
MOLECULAR WEIGHT: 396.4182
SMILES: CC1=CC2=C(C=C1)N(C(=O)C2=NNC(=S)N)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 51596-04-4
CAS Name: 4-[5-methyl-4-[(Z)-[3-methyl-5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]methyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
OPENEYE Name: 4-[5-methyl-4-[(Z)-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]methyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
IUPAC Name: 4-[5-methyl-4-[(Z)-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]methyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
SYSTEMATIC NAME: 4-[5-methyl-4-[(Z)-[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]methyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid
MOLECULAR FORMULA: C21H18N4O8S2
MOLECULAR WEIGHT: 518.51962
SMILES: CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C
Structure:
CAS RN: 50908-22-0
CAS Name: N-[(E)-(1-hydroxy-2-pyridinylidene)methyl]imino-4-methylbenzenesulfonamide
OPENEYE Name: N-[(E)-(1-hydroxy-2-pyridylidene)methyl]imino-4-methyl-benzenesulfonamide
IUPAC Name: N-[(E)-(1-hydroxypyridin-2-ylidene)methyl]imino-4-methylbenzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-[(E)-(1-oxidanylpyridin-2-ylidene)methyl]imino-benzenesulfonamide
MOLECULAR FORMULA: C13H13N3O3S
MOLECULAR WEIGHT: 291.32562
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=N/C=C/2\C=CC=CN2O
Structure:
CAS RN: 41459-10-3
CAS Name: (5E)-5-(dimethylaminohydrazinylidene)-2-methyl-4-imidazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl (5E)-5-(dimethylaminohydrazono)-2-methyl-imidazole-4-carboxylate
IUPAC Name: ethyl (5E)-5-(dimethylaminohydrazinylidene)-2-methylimidazole-4-carboxylate
SYSTEMATIC NAME: ethyl (5E)-5-(dimethylaminohydrazinylidene)-2-methyl-imidazole-4-carboxylate
MOLECULAR FORMULA: C9H15N5O2
MOLECULAR WEIGHT: 225.2477
SMILES: CCOC(=O)C\1=NC(=N/C1=N/NN(C)C)C
Structure:
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