All Chemical Compounds

Thursday, December 1, 2011

All Chemical Compounds Information

Product OPENEYE NAME: 3-bromo-N2-(4-morpholinobutyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[4-(4-morpholinyl)butyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-(4-morpholin-4-ylbutyl)-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-(4-morpholin-4-ylbutyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C21H25BrN6O
MOLECULAR WEIGHT: 457.3668
SMILES: C1COCCN1CCCCNC2=C(C=CC=C2Br)NC3=NC=NC4=C3C=NC=C4
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Product OPENEYE NAME: 3-methyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-methyl-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-methyl-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-methyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C14H13N5
MOLECULAR WEIGHT: 251.28652
SMILES: CC1=C(C(=CC=C1)NC2=NC=NC3=C2C=NC=C3)N
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Product OPENEYE NAME: 3-chloro-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-chloro-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-chloro-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-chloranyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C13H10ClN5
MOLECULAR WEIGHT: 271.705
SMILES: C1=CC(=C(C(=C1)Cl)N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 2-amino-3-(pyrido[4,3-d]pyrimidin-4-ylamino)phenol
CAS Name: 2-amino-3-(4-pyrido[4,3-d]pyrimidinylamino)phenol
IUPAC NAME: 2-amino-3-(pyrido[4,3-d]pyrimidin-4-ylamino)phenol
SYSTEMATIC NAME: 2-azanyl-3-(pyrido[4,3-d]pyrimidin-4-ylamino)phenol
MOLECULAR FORMULA: C13H11N5O
MOLECULAR WEIGHT: 253.25934
SMILES: C1=CC(=C(C(=C1)O)N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 5-bromo-2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Name: 5-bromo-2-[3-(trifluoromethyl)anilino]benzoic acid
IUPAC NAME: 5-bromo-2-[3-(trifluoromethyl)anilino]benzoic acid
SYSTEMATIC NAME: 5-bromanyl-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C14H9BrF3NO2
MOLECULAR WEIGHT: 360.12597
SMILES: C1=CC(=CC(=C1)NC2=C(C=C(C=C2)Br)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-hydroxyphenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis[(4-hydroxyphenyl)methyl]amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-hydroxyphenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-hydroxyphenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C56H84N4O5
MOLECULAR WEIGHT: 893.28996
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC7=CC=C(C=C7)O)CC8=CC=C(C=C8)O
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-methoxyphenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis[(4-methoxyphenyl)methyl]amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-methoxyphenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-methoxyphenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C58H88N4O5
MOLECULAR WEIGHT: 921.34312
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC7=CC=C(C=C7)OC)CC8=CC=C(C=C8)OC
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Product OPENEYE NAME: 5-chloro-2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Name: 5-chloro-2-[3-(trifluoromethyl)anilino]benzoic acid
IUPAC NAME: 5-chloro-2-[3-(trifluoromethyl)anilino]benzoic acid
SYSTEMATIC NAME: 5-chloranyl-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C14H9ClF3NO2
MOLECULAR WEIGHT: 315.67497
SMILES: C1=CC(=CC(=C1)NC2=C(C=C(C=C2)Cl)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: diethyl (5R,7S)-1-benzyl-5-dodecanoyl-5-hydroxy-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylate
CAS Name: (5R,7S)-5-hydroxy-5-(1-oxododecyl)-1-(phenylmethyl)-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl (5R,7S)-1-benzyl-5-dodecanoyl-5-hydroxy-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylate
SYSTEMATIC NAME: diethyl (5R,7S)-5-dodecanoyl-5-oxidanyl-1-(phenylmethyl)-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylate
MOLECULAR FORMULA: C32H48N2O6
MOLECULAR WEIGHT: 556.73332
SMILES: CCCCCCCCCCCC(=O)[C@@]1(C[C@@H](C(=C2N1CCN2CC3=CC=CC=C3)C(=O)OCC)C(=O)OCC)O
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All Chemical Compounds Information

Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H21N6O12P2-
MOLECULAR WEIGHT: 539.307762
SMILES: C1[C@@H]([C@H]2COP(=O)(OP(=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)[N+]4=C(C5=C(N=C4)N([C@@H]1O2)C(=N5)N)N)O)O)[O-])[O-])O
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Product OPENEYE NAME: 1-[6-(hydroxyamino)-6-oxo-hexyl]-3-[3-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]urea
CAS Name: N-hydroxy-6-[[oxo-[3-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]anilino]methyl]amino]hexanamide
IUPAC NAME: N-hydroxy-6-[[3-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]carbamoylamino]hexanamide
SYSTEMATIC NAME: N-oxidanyl-6-[[3-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]carbamoylamino]hexanamide
MOLECULAR FORMULA: C21H21F3N4O4
MOLECULAR WEIGHT: 450.41105
SMILES: C1=CC(=CC(=C1)NC(=O)NCCCCCC(=O)NO)C2=NC3=C(O2)C=CC(=C3)C(F)(F)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H19BrN5O12P2-
MOLECULAR WEIGHT: 603.189182
SMILES: C1[C@@H]([C@H]2COP(=O)(OP(=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)[N+]4=C(C5=C(N=C4)N([C@@H]1O2)C(=N5)Br)N)O)O)[O-])[O-])O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H26O5
MOLECULAR WEIGHT: 394.46024
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(=O)[C@H]5CCCC[C@H]5O4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H26O5
MOLECULAR WEIGHT: 394.46024
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(=O)[C@H]5CCCC[C@@H]5O4
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Product OPENEYE NAME: 4-amino-2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Name: 4-amino-2-[3-(trifluoromethyl)anilino]benzoic acid
IUPAC NAME: 4-amino-2-[3-(trifluoromethyl)anilino]benzoic acid
SYSTEMATIC NAME: 4-azanyl-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C14H11F3N2O2
MOLECULAR WEIGHT: 296.24455
SMILES: C1=CC(=CC(=C1)NC2=C(C=CC(=C2)N)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: (4-chlorophenyl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
CAS Name: (4-chlorophenyl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
IUPAC NAME: (4-chlorophenyl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
SYSTEMATIC NAME: (4-chlorophenyl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
MOLECULAR FORMULA: C30H33ClN2O3
MOLECULAR WEIGHT: 505.04762
SMILES: COC1=CC=CC=C1OC2=CC=CC=C2CN3CCC4(CC3)CCN(CC4)C(=O)C5=CC=C(C=C5)Cl
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(cyclohexylmethyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis(cyclohexylmethyl)amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(cyclohexylmethyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(cyclohexylmethyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C56H96N4O3
MOLECULAR WEIGHT: 873.38644
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC7CCCCC7)CC8CCCCC8
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H42N6O4
MOLECULAR WEIGHT: 646.77788
SMILES: CN(C)CCCNCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCNCCCN(C)C)C1=O
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Product OPENEYE NAME: 2-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecane-9-carbonyl]benzoic acid
CAS Name: 2-[[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-oxomethyl]benzoic acid
IUPAC NAME: 2-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecane-9-carbonyl]benzoic acid
SYSTEMATIC NAME: 2-[[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]carbonyl]benzoic acid
MOLECULAR FORMULA: C31H34N2O5
MOLECULAR WEIGHT: 514.61206
SMILES: COC1=CC=CC=C1OC2=CC=CC=C2CN3CCC4(CC3)CCN(CC4)C(=O)C5=CC=CC=C5C(=O)O
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Product OPENEYE NAME: 7-[4-[4-[1-[(3aS,5R,6S,6aS)-2,2-dimethyl-6-prop-2-enoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetoxy-ethoxy]-4-oxo-butanoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
CAS Name: 7-[4-[4-[1-[(3aS,5R,6S,6aS)-2,2-dimethyl-6-(1-oxoprop-2-enoxy)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethoxy]-1,4-dioxobutyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 7-[4-[4-[1-[(3aS,5R,6S,6aS)-2,2-dimethyl-6-prop-2-enoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethoxy]-4-oxobutanoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 7-[4-[4-[1-[(3aS,5R,6S,6aS)-2,2-dimethyl-6-prop-2-enoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxy-ethoxy]-4-oxidanylidene-butanoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C35H40FN3O13
MOLECULAR WEIGHT: 729.702803
SMILES: CC(=O)OCC([C@@H]1[C@@H]([C@H]2[C@@H](O1)OC(O2)(C)C)OC(=O)C=C)OC(=O)CCC(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H19BrN5O13P2-
MOLECULAR WEIGHT: 619.188582
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=[N+](C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)[O-])[O-])O)O)N)N=C3Br)O)O
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H21BrN5O13P2+
MOLECULAR WEIGHT: 621.204462
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=[N+](C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)O)O)O)O)N)N=C3Br)O)O
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N5O13P2-
MOLECULAR WEIGHT: 616.388482
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=[N+](C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)[O-])[O-])O)O)N)N=C3C6=CC=CC=C6)O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C15H21N6O13P2-
MOLECULAR WEIGHT: 555.307162
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=[N+](C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)[O-])[O-])O)O)N)N=C3N)O)O
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MOLECULAR FORMULA: C15H23N6O13P2+
MOLECULAR WEIGHT: 557.323042
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=[N+](C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)O)O)O)O)N)N=C3N)O)O
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All Chemical Compounds Information

Product OPENEYE NAME: 2-[2-bromo-N-methyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]acetic acid
CAS Name: 2-[2-bromo-N-methyl-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]acetic acid
IUPAC NAME: 2-[2-bromo-N-methyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]acetic acid
SYSTEMATIC NAME: 2-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]-methyl-amino]ethanoic acid
MOLECULAR FORMULA: C16H14BrN5O2
MOLECULAR WEIGHT: 388.21866
SMILES: CN(CC(=O)O)C1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 4-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]butanoic acid
CAS Name: 4-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]butanoic acid
IUPAC NAME: 4-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]butanoic acid
SYSTEMATIC NAME: 4-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]butanoic acid
MOLECULAR FORMULA: C17H16BrN5O2
MOLECULAR WEIGHT: 402.24524
SMILES: C1=CC(=C(C(=C1)Br)NCCCC(=O)O)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: N4-(3-bromophenyl)-N6-(2-imidazol-1-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CAS Name: N4-(3-bromophenyl)-N6-[2-(1-imidazolyl)ethyl]pyrimido[5,4-d]pyrimidine-4,6-diamine
IUPAC NAME: 4-N-(3-bromophenyl)-6-N-(2-imidazol-1-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SYSTEMATIC NAME: N4-(3-bromophenyl)-N6-(2-imidazol-1-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
MOLECULAR FORMULA: C17H15BrN8
MOLECULAR WEIGHT: 411.2586
SMILES: C1=CC(=CC(=C1)Br)NC2=NC=NC3=CN=C(N=C32)NCCN4C=CN=C4
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Product OPENEYE NAME: 3-bromo-N2-[3-(4-methylpiperazin-1-yl)propyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[3-(4-methyl-1-piperazinyl)propyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-[3-(4-methylpiperazin-1-yl)propyl]-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-[3-(4-methylpiperazin-1-yl)propyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C21H26BrN7
MOLECULAR WEIGHT: 456.38204
SMILES: CN1CCN(CC1)CCCNC2=C(C=CC=C2Br)NC3=NC=NC4=C3C=NC=C4
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Product OPENEYE NAME: 4-[[(E)-3-carboxyprop-2-enoyl]amino]-2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Name: 4-[[(E)-3-carboxy-1-oxoprop-2-enyl]amino]-2-[3-(trifluoromethyl)anilino]benzoic acid
IUPAC NAME: 4-[[(E)-3-carboxyprop-2-enoyl]amino]-2-[3-(trifluoromethyl)anilino]benzoic acid
SYSTEMATIC NAME: 4-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C18H13F3N2O5
MOLECULAR WEIGHT: 394.30143
SMILES: C1=CC(=CC(=C1)NC2=C(C=CC(=C2)NC(=O)/C=C/C(=O)O)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: 4-benzamido-2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Name: 4-benzamido-2-[3-(trifluoromethyl)anilino]benzoic acid
IUPAC NAME: 4-benzamido-2-[3-(trifluoromethyl)anilino]benzoic acid
SYSTEMATIC NAME: 4-benzamido-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C21H15F3N2O3
MOLECULAR WEIGHT: 400.35061
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)O)NC3=CC=CC(=C3)C(F)(F)F
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Product OPENEYE NAME: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-(2-pyridyl)methanone
CAS Name: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-(2-pyridinyl)methanone
IUPAC NAME: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
SYSTEMATIC NAME: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-yl-methanone
MOLECULAR FORMULA: C29H33N3O3
MOLECULAR WEIGHT: 471.59062
SMILES: COC1=CC=CC=C1OC2=CC=CC=C2CN3CCC4(CC3)CCN(CC4)C(=O)C5=CC=CC=N5
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Product OPENEYE NAME: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-(4-pyridyl)methanone
CAS Name: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone
IUPAC NAME: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone
SYSTEMATIC NAME: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-4-yl-methanone
MOLECULAR FORMULA: C29H33N3O3
MOLECULAR WEIGHT: 471.59062
SMILES: COC1=CC=CC=C1OC2=CC=CC=C2CN3CCC4(CC3)CCN(CC4)C(=O)C5=CC=NC=C5
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(cyclopropylmethyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis(cyclopropylmethyl)amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(cyclopropylmethyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(cyclopropylmethyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C50H84N4O3
MOLECULAR WEIGHT: 789.22696
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC7CC7)CC8CC8
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(diheptylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-(diheptylamino)propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(diheptylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(diheptylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C56H100N4O3
MOLECULAR WEIGHT: 877.4182
SMILES: CCCCCCCN(CCCCCCC)CCCN1CCN(CC1)CCCNC(=O)[C@]23CC[C@H]([C@@H]([C@H]2C4=CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(CC3)C)C)(C)C)OC(=O)C)C)C)C
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Product OPENEYE NAME: [3-[(2-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-(4-pyridyl)methanone
CAS Name: [3-[(2-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone
IUPAC NAME: [3-[(2-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone
SYSTEMATIC NAME: [3-[(2-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-4-yl-methanone
MOLECULAR FORMULA: C28H31N3O2
MOLECULAR WEIGHT: 441.56464
SMILES: C1CN(CCC12CCN(CC2)C(=O)C3=CC=NC=C3)CC4=CC=CC=C4OC5=CC=CC=C5
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H38N6O4
MOLECULAR WEIGHT: 618.72472
SMILES: CC(C)NCCNCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CNCCNC(C)C)C1=O
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Product OPENEYE NAME: (3S)-3-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]-5-ethyl-tetrahydrofuran-2-one
CAS Name: (3S)-3-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]-5-ethyl-2-oxolanone
IUPAC NAME: (3S)-3-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-5-ethyloxolan-2-one
SYSTEMATIC NAME: (3S)-3-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-5-ethyl-oxolan-2-one
MOLECULAR FORMULA: C24H35ClN2O4
MOLECULAR WEIGHT: 450.9987
SMILES: CCC1C[C@@H](C(=O)O1)N2CCC(CC2)CN3CCC(CC3)OC4=CC(=C(C=C4)CO)Cl
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Product OPENEYE NAME: (2S,6R)-6-[[4-[1-[(3aS,5R,6S,6aS)-2,2-dimethyl-6-prop-2-enoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetoxy-ethoxy]-4-oxo-butanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S,6R)-6-[[4-[1-[(3aS,5R,6S,6aS)-2,2-dimethyl-6-(1-oxoprop-2-enoxy)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethoxy]-1,4-dioxobutyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S,6R)-6-[[4-[1-[(3aS,5R,6S,6aS)-2,2-dimethyl-6-prop-2-enoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethoxy]-4-oxobutanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,6R)-6-[[4-[1-[(3aS,5R,6S,6aS)-2,2-dimethyl-6-prop-2-enoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxy-ethoxy]-4-oxidanylidene-butanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C26H34N2O13S
MOLECULAR WEIGHT: 614.61876
SMILES: CC(=O)OCC([C@@H]1[C@@H]([C@H]2[C@@H](O1)OC(O2)(C)C)OC(=O)C=C)OC(=O)CCC(=O)N[C@H]3C4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
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Product OPENEYE NAME: 1-[3-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-[6-(hydroxyamino)-6-oxo-hexyl]urea
CAS Name: 6-[[[3-(6-fluoro-1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino]-N-hydroxyhexanamide
IUPAC NAME: 6-[[3-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-N-hydroxyhexanamide
SYSTEMATIC NAME: 6-[[3-(6-fluoranyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-N-oxidanyl-hexanamide
MOLECULAR FORMULA: C20H21FN4O4
MOLECULAR WEIGHT: 400.403543
SMILES: C1=CC(=CC(=C1)NC(=O)NCCCCCC(=O)NO)C2=NC3=C(O2)C=C(C=C3)F
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Product OPENEYE NAME: 1-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]-3-[6-(hydroxyamino)-6-oxo-hexyl]urea
CAS Name: 6-[[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methoxyanilino]-oxomethyl]amino]-N-hydroxyhexanamide
IUPAC NAME: 6-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide
SYSTEMATIC NAME: 6-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino]-N-oxidanyl-hexanamide
MOLECULAR FORMULA: C21H23ClN4O5
MOLECULAR WEIGHT: 446.88412
SMILES: COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=O)NCCCCCC(=O)NO
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All Chemical Compounds Information

Product OPENEYE NAME: 3-methyl-N2-(3-morpholinopropyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-methyl-N2-[3-(4-morpholinyl)propyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-methyl-2-N-(3-morpholin-4-ylpropyl)-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-methyl-N2-(3-morpholin-4-ylpropyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C21H26N6O
MOLECULAR WEIGHT: 378.47074
SMILES: CC1=C(C(=CC=C1)NC2=NC=NC3=C2C=NC=C3)NCCCN4CCOCC4
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Product OPENEYE NAME: 3-methyl-N2-[3-(4-methylpiperazin-1-yl)propyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-methyl-N2-[3-(4-methyl-1-piperazinyl)propyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-methyl-N2-[3-(4-methylpiperazin-1-yl)propyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C22H29N7
MOLECULAR WEIGHT: 391.51256
SMILES: CC1=C(C(=CC=C1)NC2=NC=NC3=C2C=NC=C3)NCCCN4CCN(CC4)C
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Product OPENEYE NAME: N2-[4-(dimethylamino)butyl]-3-methyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: N2-[4-(dimethylamino)butyl]-3-methyl-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 2-N-[4-(dimethylamino)butyl]-3-methyl-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: N2-[4-(dimethylamino)butyl]-3-methyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C20H26N6
MOLECULAR WEIGHT: 350.46064
SMILES: CC1=C(C(=CC=C1)NC2=NC=NC3=C2C=NC=C3)NCCCCN(C)C
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Product OPENEYE NAME: 2-[(2S,5R,8S,11S)-2,5-dibenzyl-8-(3-guanidinopropyl)-11-(1H-indol-3-ylmethyl)-3,6,9,12,18,23-hexaoxo-1,4,7,10,13,17-hexazacyclotricos-13-yl]acetamide
CAS Name: 2-[(2S,5R,8S,11S)-8-[3-(diaminomethylideneamino)propyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,18,23-hexaoxo-2,5-bis(phenylmethyl)-1,4,7,10,13,17-hexazacyclotricos-13-yl]acetamide
IUPAC NAME: 2-[(2S,5R,8S,11S)-2,5-dibenzyl-8-[3-(diaminomethylideneamino)propyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,18,23-hexaoxo-1,4,7,10,13,17-hexazacyclotricos-13-yl]acetamide
SYSTEMATIC NAME: 2-[(2S,5R,8S,11S)-8-[3-[bis(azanyl)methylideneamino]propyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,18,23-hexakis(oxidanylidene)-2,5-bis(phenylmethyl)-1,4,7,10,13,17-hexazacyclotricos-13-yl]ethanamide
MOLECULAR FORMULA: C46H59N11O7
MOLECULAR WEIGHT: 878.03016
SMILES: C1CCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N(CCCNC(=O)C1)CC(=O)N)CC2=CNC3=CC=CC=C32)CCCN=C(N)N)CC4=CC=CC=C4)CC5=CC=CC=C5
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Product OPENEYE NAME: 4-(4-hydroxybutanoylamino)-2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Name: 4-[(4-hydroxy-1-oxobutyl)amino]-2-[3-(trifluoromethyl)anilino]benzoic acid
IUPAC NAME: 4-(4-hydroxybutanoylamino)-2-[3-(trifluoromethyl)anilino]benzoic acid
SYSTEMATIC NAME: 4-(4-oxidanylbutanoylamino)-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C18H17F3N2O4
MOLECULAR WEIGHT: 382.33379
SMILES: C1=CC(=CC(=C1)NC2=C(C=CC(=C2)NC(=O)CCCO)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(dibutylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-(dibutylamino)propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(dibutylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(dibutylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C50H88N4O3
MOLECULAR WEIGHT: 793.25872
SMILES: CCCCN(CCCC)CCCN1CCN(CC1)CCCNC(=O)[C@]23CC[C@H]([C@@H]([C@H]2C4=CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(CC3)C)C)(C)C)OC(=O)C)C)C)C
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(dipropylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-(dipropylamino)propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(dipropylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(dipropylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C48H84N4O3
MOLECULAR WEIGHT: 765.20556
SMILES: CCCN(CCC)CCCN1CCN(CC1)CCCNC(=O)[C@]23CC[C@H]([C@@H]([C@H]2C4=CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(CC3)C)C)(C)C)OC(=O)C)C)C)C
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Product OPENEYE NAME: 4-(dimethylamino)-N-[[4-[[(2-sulfanylacetyl)amino]methyl]phenyl]methyl]benzamide
CAS Name: 4-(dimethylamino)-N-[[4-[[(2-mercapto-1-oxoethyl)amino]methyl]phenyl]methyl]benzamide
IUPAC NAME: 4-(dimethylamino)-N-[[4-[[(2-sulfanylacetyl)amino]methyl]phenyl]methyl]benzamide
SYSTEMATIC NAME: 4-(dimethylamino)-N-[[4-[(2-sulfanylethanoylamino)methyl]phenyl]methyl]benzamide
MOLECULAR FORMULA: C19H23N3O2S
MOLECULAR WEIGHT: 357.46982
SMILES: CN(C)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)CNC(=O)CS
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Product OPENEYE NAME: 1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]-3-[6-(hydroxyamino)-6-oxo-hexyl]urea
CAS Name: 6-[[[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyanilino]-oxomethyl]amino]-N-hydroxyhexanamide
IUPAC NAME: 6-[[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide
SYSTEMATIC NAME: 6-[[5-(6-fluoranyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino]-N-oxidanyl-hexanamide
MOLECULAR FORMULA: C21H23FN4O5
MOLECULAR WEIGHT: 430.429523
SMILES: COC1=C(C=C(C=C1)C2=NC3=C(O2)C=C(C=C3)F)NC(=O)NCCCCCC(=O)NO
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Product OPENEYE NAME: 1-[5-(5-fluoro-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]-3-[6-(hydroxyamino)-6-oxo-hexyl]urea
CAS Name: 6-[[[5-(5-fluoro-1,3-benzoxazol-2-yl)-2-methoxyanilino]-oxomethyl]amino]-N-hydroxyhexanamide
IUPAC NAME: 6-[[5-(5-fluoro-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide
SYSTEMATIC NAME: 6-[[5-(5-fluoranyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino]-N-oxidanyl-hexanamide
MOLECULAR FORMULA: C21H23FN4O5
MOLECULAR WEIGHT: 430.429523
SMILES: COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)F)NC(=O)NCCCCCC(=O)NO
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Product OPENEYE NAME: 1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]-3-[6-(hydroxyamino)-6-oxo-hexyl]urea
CAS Name: 6-[[[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methoxyanilino]-oxomethyl]amino]-N-hydroxyhexanamide
IUPAC NAME: 6-[[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide
SYSTEMATIC NAME: 6-[[5-[5,7-bis(chloranyl)-1,3-benzoxazol-2-yl]-2-methoxy-phenyl]carbamoylamino]-N-oxidanyl-hexanamide
MOLECULAR FORMULA: C21H22Cl2N4O5
MOLECULAR WEIGHT: 481.32918
SMILES: COC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)Cl)Cl)NC(=O)NCCCCCC(=O)NO
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N5O12P2-
MOLECULAR WEIGHT: 600.389082
SMILES: C1[C@@H]([C@H]2COP(=O)(OP(=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)[N+]4=C(C5=C(N=C4)N([C@@H]1O2)C(=N5)C6=CC=CC=C6)N)O)O)[O-])[O-])O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28O8
MOLECULAR WEIGHT: 384.42082
SMILES: C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C
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Product OPENEYE NAME:
CAS Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H22N5O13P2-
MOLECULAR WEIGHT: 554.319102
SMILES: COC1=NC2=C3N1[C@H]4C[C@@H]([C@H](O4)COP(=O)(OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)[N+](=C2N)C=N3)O)O)[O-])[O-])O
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Product OPENEYE NAME: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanesulfonic acid
CAS Name: 2-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]ethanesulfonic acid
IUPAC NAME: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]ethanesulfonic acid
MOLECULAR FORMULA: C15H14BrN5O3S
MOLECULAR WEIGHT: 424.27236
SMILES: C1=CC(=C(C(=C1)Br)NCCS(=O)(=O)O)NC2=NC=NC3=C2C=NC=C3
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All Chemical Compounds Information

Product OPENEYE NAME: methyl 2-[(S)-[(2S)-morpholin-2-yl]-phenyl-methyl]sulfanylbenzoate
CAS Name: 2-[[(S)-[(2S)-2-morpholinyl]-phenylmethyl]thio]benzoic acid methyl ester
IUPAC NAME: methyl 2-[(S)-[(2S)-morpholin-2-yl]-phenylmethyl]sulfanylbenzoate
SYSTEMATIC NAME: methyl 2-[(S)-[(2S)-morpholin-2-yl]-phenyl-methyl]sulfanylbenzoate
MOLECULAR FORMULA: C19H21NO3S
MOLECULAR WEIGHT: 343.43994
SMILES: COC(=O)C1=CC=CC=C1S[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-2-[(S)-[2-(2-fluoroethoxy)phenyl]sulfanyl-phenyl-methyl]morpholine
CAS Name: (2S)-2-[(S)-[[2-(2-fluoroethoxy)phenyl]thio]-phenylmethyl]morpholine
IUPAC NAME: (2S)-2-[(S)-[2-(2-fluoroethoxy)phenyl]sulfanyl-phenylmethyl]morpholine
SYSTEMATIC NAME: (2S)-2-[(S)-[2-(2-fluoranylethoxy)phenyl]sulfanyl-phenyl-methyl]morpholine
MOLECULAR FORMULA: C19H22FNO2S
MOLECULAR WEIGHT: 347.446883
SMILES: C1CO[C@@H](CN1)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3OCCF
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Product OPENEYE NAME: 4-guanidino-N-phenyl-benzamide
CAS Name: 4-(diaminomethylideneamino)-N-phenylbenzamide
IUPAC NAME: 4-(diaminomethylideneamino)-N-phenylbenzamide
SYSTEMATIC NAME: 4-[bis(azanyl)methylideneamino]-N-phenyl-benzamide
MOLECULAR FORMULA: C14H14N4O
MOLECULAR WEIGHT: 254.28716
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N=C(N)N
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Product OPENEYE NAME: 2-[2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethyl-(2-hydroxyethyl)amino]ethanol
CAS Name: 2-[2-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]ethyl-(2-hydroxyethyl)amino]ethanol
IUPAC NAME: 2-[2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethyl-(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: 2-[2-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C19H23BrN6O2
MOLECULAR WEIGHT: 447.32892
SMILES: C1=CC(=C(C(=C1)Br)NCCN(CCO)CCO)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(diisobutylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis(2-methylpropyl)amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C50H88N4O3
MOLECULAR WEIGHT: 793.25872
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC(C)C)CC(C)C
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Product OPENEYE NAME: (E)-3-(3-chlorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CAS Name: (E)-3-(3-chlorophenyl)-1-(2,4,6-trimethoxyphenyl)-2-propen-1-one
IUPAC NAME: (E)-3-(3-chlorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(3-chlorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C18H17ClO4
MOLECULAR WEIGHT: 332.77818
SMILES: COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC(=CC=C2)Cl)OC
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Product OPENEYE NAME: methyl 2-[(S)-[(2S)-morpholin-2-yl]-phenyl-methoxy]benzoate
CAS Name: 2-[(S)-[(2S)-2-morpholinyl]-phenylmethoxy]benzoic acid methyl ester
IUPAC NAME: methyl 2-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]benzoate
SYSTEMATIC NAME: methyl 2-[(S)-[(2S)-morpholin-2-yl]-phenyl-methoxy]benzoate
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: COC(=O)C1=CC=CC=C1O[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-2-[(S)-(2-methylsulfanylphenoxy)-phenyl-methyl]morpholine
CAS Name: (2S)-2-[(S)-[2-(methylthio)phenoxy]-phenylmethyl]morpholine
IUPAC NAME: (2S)-2-[(S)-(2-methylsulfanylphenoxy)-phenylmethyl]morpholine
SYSTEMATIC NAME: (2S)-2-[(S)-(2-methylsulfanylphenoxy)-phenyl-methyl]morpholine
MOLECULAR FORMULA: C18H21NO2S
MOLECULAR WEIGHT: 315.42984
SMILES: CSC1=CC=CC=C1O[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H21N4O12P2-
MOLECULAR WEIGHT: 523.305062
SMILES: C1[C@@H]([C@H]2COP(=O)(OP(=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)[N+]4=C(C5=C(N=C4)N([C@@H]1O2)C=C5)N)O)O)[O-])[O-])O
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Product OPENEYE NAME: N2-(3-imidazol-1-ylpropyl)-3-methyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: N2-[3-(1-imidazolyl)propyl]-3-methyl-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 2-N-(3-imidazol-1-ylpropyl)-3-methyl-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: N2-(3-imidazol-1-ylpropyl)-3-methyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C20H21N7
MOLECULAR WEIGHT: 359.42764
SMILES: CC1=C(C(=CC=C1)NC2=NC=NC3=C2C=NC=C3)NCCCN4C=CN=C4
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All Chemical Compounds Information

Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H32N2O14
MOLECULAR WEIGHT: 704.63358
SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)OC(=O)OCC6=CC=C(C=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)OC)O)O)O)O
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Product OPENEYE NAME: 3-[2-bromo-N-methyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propane-1,2-diol
CAS Name: 3-[2-bromo-N-methyl-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]propane-1,2-diol
IUPAC NAME: 3-[2-bromo-N-methyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propane-1,2-diol
SYSTEMATIC NAME: 3-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]-methyl-amino]propane-1,2-diol
MOLECULAR FORMULA: C17H18BrN5O2
MOLECULAR WEIGHT: 404.26112
SMILES: CN(CC(CO)O)C1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: [2-bromo-N-(hydroxymethyl)-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]methanol
CAS Name: [2-bromo-N-(hydroxymethyl)-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]methanol
IUPAC NAME: [2-bromo-N-(hydroxymethyl)-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]methanol
SYSTEMATIC NAME: [[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]-(hydroxymethyl)amino]methanol
MOLECULAR FORMULA: C15H14BrN5O2
MOLECULAR WEIGHT: 376.20796
SMILES: C1=CC(=C(C(=C1)Br)N(CO)CO)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: N-[(1S)-7-oxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylcarbamoyl]octyl]thiadiazole-5-carboxamide
CAS Name: N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-thiadiazolecarboxamide
IUPAC NAME: N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]thiadiazole-5-carboxamide
SYSTEMATIC NAME: N-[(2S)-1,8-bis(oxidanylidene)-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-1,2,3-thiadiazole-5-carboxamide
MOLECULAR FORMULA: C28H31N5O3S
MOLECULAR WEIGHT: 517.64244
SMILES: CC(=O)CCCCC[C@@H](C(=O)NCCC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)NC(=O)C4=CN=NS4
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Product OPENEYE NAME: (2S)-2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]-3-phenyl-propanoic acid
CAS Name: (2S)-2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]-3-phenylpropanoic acid
IUPAC NAME: (2S)-2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C27H35ClN2O4
MOLECULAR WEIGHT: 487.0308
SMILES: C1CN(CCC1CN2CCC(CC2)OC3=CC(=C(C=C3)CO)Cl)[C@@H](CC4=CC=CC=C4)C(=O)O
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Product OPENEYE NAME: (2S)-2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]-3-(2-pyridyl)propanoic acid
CAS Name: (2S)-2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]-3-(2-pyridinyl)propanoic acid
IUPAC NAME: (2S)-2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-yl-propanoic acid
MOLECULAR FORMULA: C26H34ClN3O4
MOLECULAR WEIGHT: 488.01886
SMILES: C1CN(CCC1CN2CCC(CC2)OC3=CC(=C(C=C3)CO)Cl)[C@@H](CC4=CC=CC=N4)C(=O)O
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Product OPENEYE NAME: N-benzyl-2-(hydroxycarbamoyl)benzothiophene-6-carboxamide
CAS Name: N2-hydroxy-N6-(phenylmethyl)-1-benzothiophene-2,6-dicarboxamide
IUPAC NAME: 6-N-benzyl-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide
SYSTEMATIC NAME: N2-oxidanyl-N6-(phenylmethyl)-1-benzothiophene-2,6-dicarboxamide
MOLECULAR FORMULA: C17H14N2O3S
MOLECULAR WEIGHT: 326.36966
SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C=C(S3)C(=O)NO
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Product OPENEYE NAME: N-benzyl-2-(hydroxycarbamoyl)benzothiophene-5-carboxamide
CAS Name: N2-hydroxy-N5-(phenylmethyl)-1-benzothiophene-2,5-dicarboxamide
IUPAC NAME: 5-N-benzyl-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide
SYSTEMATIC NAME: N2-oxidanyl-N5-(phenylmethyl)-1-benzothiophene-2,5-dicarboxamide
MOLECULAR FORMULA: C17H14N2O3S
MOLECULAR WEIGHT: 326.36966
SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC(=C3)C(=O)NO
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Product OPENEYE NAME: 7-[(2-anilino-2-oxo-ethyl)-[2-(hydroxyamino)-2-oxo-ethyl]amino]-N-phenyl-heptanamide
CAS Name: 7-[(2-anilino-2-oxoethyl)-[2-(hydroxyamino)-2-oxoethyl]amino]-N-phenylheptanamide
IUPAC NAME: 7-[(2-anilino-2-oxoethyl)-[2-(hydroxyamino)-2-oxoethyl]amino]-N-phenylheptanamide
SYSTEMATIC NAME: 7-[[2-(oxidanylamino)-2-oxidanylidene-ethyl]-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]-N-phenyl-heptanamide
MOLECULAR FORMULA: C23H30N4O4
MOLECULAR WEIGHT: 426.5087
SMILES: C1=CC=C(C=C1)NC(=O)CCCCCCN(CC(=O)NC2=CC=CC=C2)CC(=O)NO
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Product OPENEYE NAME: 2-[3-(1-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-3-yl)propyl]guanidine
CAS Name: 2-[3-[2,5-dioxo-1-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepin-3-yl]propyl]guanidine
IUPAC NAME: 2-[3-(1-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-3-yl)propyl]guanidine
SYSTEMATIC NAME: 2-[3-[2,5-bis(oxidanylidene)-1-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepin-3-yl]propyl]guanidine
MOLECULAR FORMULA: C20H23N5O2
MOLECULAR WEIGHT: 365.42892
SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)NC(C2=O)CCCN=C(N)N
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Product OPENEYE NAME: 1-benzyl-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CAS Name: 3-(1H-indol-3-ylmethyl)-1-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
IUPAC NAME: 1-benzyl-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SYSTEMATIC NAME: 3-(1H-indol-3-ylmethyl)-1-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
MOLECULAR FORMULA: C25H21N3O2
MOLECULAR WEIGHT: 395.45314
SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)NC(C2=O)CC4=CNC5=CC=CC=C54
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Product OPENEYE NAME: 1,3-dibenzyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CAS Name: 1,3-bis(phenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
IUPAC NAME: 1,3-dibenzyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SYSTEMATIC NAME: 1,3-bis(phenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
MOLECULAR FORMULA: C23H20N2O2
MOLECULAR WEIGHT: 356.4171
SMILES: C1=CC=C(C=C1)CC2C(=O)N(C3=CC=CC=C3C(=O)N2)CC4=CC=CC=C4
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Product OPENEYE NAME: 3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propane-1,2-diol
CAS Name: 3-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]propane-1,2-diol
IUPAC NAME: 3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propane-1,2-diol
SYSTEMATIC NAME: 3-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]propane-1,2-diol
MOLECULAR FORMULA: C16H16BrN5O2
MOLECULAR WEIGHT: 390.23454
SMILES: C1=CC(=C(C(=C1)Br)NCC(CO)O)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanol
CAS Name: 2-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]ethanol
IUPAC NAME: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanol
SYSTEMATIC NAME: 2-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]ethanol
MOLECULAR FORMULA: C15H14BrN5O
MOLECULAR WEIGHT: 360.20856
SMILES: C1=CC(=C(C(=C1)Br)NCCO)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 2-[2-bromo-N-methyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanol
CAS Name: 2-[2-bromo-N-methyl-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]ethanol
IUPAC NAME: 2-[2-bromo-N-methyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanol
SYSTEMATIC NAME: 2-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]-methyl-amino]ethanol
MOLECULAR FORMULA: C16H16BrN5O
MOLECULAR WEIGHT: 374.23514
SMILES: CN(CCO)C1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: N-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]acetamide
CAS Name: N-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)phenyl]acetamide
IUPAC NAME: N-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]acetamide
SYSTEMATIC NAME: N-[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]ethanamide
MOLECULAR FORMULA: C15H12BrN5O
MOLECULAR WEIGHT: 358.19268
SMILES: CC(=O)NC1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 4-(4-aminobutanoylamino)-2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Name: 4-[(4-amino-1-oxobutyl)amino]-2-[3-(trifluoromethyl)anilino]benzoic acid
IUPAC NAME: 4-(4-aminobutanoylamino)-2-[3-(trifluoromethyl)anilino]benzoic acid
SYSTEMATIC NAME: 4-(4-azanylbutanoylamino)-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C18H18F3N3O3
MOLECULAR WEIGHT: 381.34903
SMILES: C1=CC(=CC(=C1)NC2=C(C=CC(=C2)NC(=O)CCCN)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: 2-[(8S,11S,14R,17S)-14,17-dibenzyl-11-(3-guanidinopropyl)-8-(1H-indol-3-ylmethyl)-2,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexazabicyclo[18.4.0]tetracosa-1(24),20,22-trien-6-yl]acetamide
CAS Name: 2-[(8S,11S,14R,17S)-11-[3-(diaminomethylideneamino)propyl]-8-(1H-indol-3-ylmethyl)-2,7,10,13,16,19-hexaoxo-14,17-bis(phenylmethyl)-3,6,9,12,15,18-hexazabicyclo[18.4.0]tetracosa-1(24),20,22-trien-6-yl]acetamide
IUPAC NAME: 2-[(8S,11S,14R,17S)-14,17-dibenzyl-11-[3-(diaminomethylideneamino)propyl]-8-(1H-indol-3-ylmethyl)-2,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexazabicyclo[18.4.0]tetracosa-1(24),20,22-trien-6-yl]acetamide
SYSTEMATIC NAME: 2-[(8S,11S,14R,17S)-11-[3-[bis(azanyl)methylideneamino]propyl]-8-(1H-indol-3-ylmethyl)-2,7,10,13,16,19-hexakis(oxidanylidene)-14,17-bis(phenylmethyl)-3,6,9,12,15,18-hexazabicyclo[18.4.0]tetracosa-1(24),20,22-trien-6-yl]ethanamide
MOLECULAR FORMULA: C47H53N11O7
MOLECULAR WEIGHT: 883.99322
SMILES: C1CN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C2=CC=CC=C2C(=O)N1)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCN=C(N)N)CC5=CNC6=CC=CC=C65)CC(=O)N
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-8a-[3-[4-[3-[(4-nitrophenyl)methylamino]propyl]piperazin-1-yl]propylcarbamoyl]-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-8a-[[3-[4-[3-[(4-nitrophenyl)methylamino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-8a-[3-[4-[3-[(4-nitrophenyl)methylamino]propyl]piperazin-1-yl]propylcarbamoyl]-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-8a-[3-[4-[3-[(4-nitrophenyl)methylamino]propyl]piperazin-1-yl]propylcarbamoyl]-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C49H77N5O5
MOLECULAR WEIGHT: 816.16618
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCNCC7=CC=C(C=C7)[N+](=O)[O-]
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[(4-hydroxyphenyl)methylamino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[(4-hydroxyphenyl)methylamino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[(4-hydroxyphenyl)methylamino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[(4-hydroxyphenyl)methylamino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C49H78N4O4
MOLECULAR WEIGHT: 787.16802
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCNCC7=CC=C(C=C7)O
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Product OPENEYE NAME: (4-chlorophenyl)-[3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
CAS Name: (4-chlorophenyl)-[3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
IUPAC NAME: (4-chlorophenyl)-[3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
SYSTEMATIC NAME: (4-chlorophenyl)-[3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
MOLECULAR FORMULA: C29H31ClN2O2
MOLECULAR WEIGHT: 475.02164
SMILES: C1CN(CCC12CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)CC4=CC(=CC=C4)OC5=CC=CC=C5
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Product OPENEYE NAME: 3-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]propanenitrile
CAS Name: 3-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]propanenitrile
IUPAC NAME: 3-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]propanenitrile
SYSTEMATIC NAME: 3-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]propanenitrile
MOLECULAR FORMULA: C21H30ClN3O2
MOLECULAR WEIGHT: 391.9348
SMILES: C1CN(CCC1CN2CCC(CC2)OC3=CC(=C(C=C3)CO)Cl)CCC#N
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Product OPENEYE NAME: (E)-3-(2-nitrophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CAS Name: (E)-3-(2-nitrophenyl)-1-(2,4,6-trimethoxyphenyl)-2-propen-1-one
IUPAC NAME: (E)-3-(2-nitrophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(2-nitrophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C18H17NO6
MOLECULAR WEIGHT: 343.33068
SMILES: COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])OC
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Product OPENEYE NAME: 2-(hydroxycarbamoyl)-N-phenyl-benzothiophene-5-carboxamide
CAS Name: N2-hydroxy-N5-phenyl-1-benzothiophene-2,5-dicarboxamide
IUPAC NAME: 2-N-hydroxy-5-N-phenyl-1-benzothiophene-2,5-dicarboxamide
SYSTEMATIC NAME: N2-oxidanyl-N5-phenyl-1-benzothiophene-2,5-dicarboxamide
MOLECULAR FORMULA: C16H12N2O3S
MOLECULAR WEIGHT: 312.34308
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SC(=C3)C(=O)NO
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All Chemical Compounds Information

Product OPENEYE NAME: (E)-3-[4-[1-(1-ethylbenzimidazol-2-yl)propyl]phenyl]prop-2-enehydroxamic acid
CAS Name: (E)-3-[4-[1-(1-ethyl-2-benzimidazolyl)propyl]phenyl]-N-hydroxy-2-propenamide
IUPAC NAME: (E)-3-[4-[1-(1-ethylbenzimidazol-2-yl)propyl]phenyl]-N-hydroxyprop-2-enamide
SYSTEMATIC NAME: (E)-3-[4-[1-(1-ethylbenzimidazol-2-yl)propyl]phenyl]-N-oxidanyl-prop-2-enamide
MOLECULAR FORMULA: C21H23N3O2
MOLECULAR WEIGHT: 349.42622
SMILES: CCC(C1=CC=C(C=C1)/C=C/C(=O)NO)C2=NC3=CC=CC=C3N2CC
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Product OPENEYE NAME: (E)-3-[3-(1H-benzimidazol-2-ylmethyl)phenyl]prop-2-enehydroxamic acid
CAS Name: (E)-3-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-N-hydroxy-2-propenamide
IUPAC NAME: (E)-3-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-N-hydroxyprop-2-enamide
SYSTEMATIC NAME: (E)-3-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-N-oxidanyl-prop-2-enamide
MOLECULAR FORMULA: C17H15N3O2
MOLECULAR WEIGHT: 293.3199
SMILES: C1=CC=C2C(=C1)NC(=N2)CC3=CC=CC(=C3)/C=C/C(=O)NO
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Product OPENEYE NAME: N-[(Z)-[2-chloro-6-(2,5-dimethoxy-4-nitro-phenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]-4,5-dihydro-1H-imidazol-2-amine
CAS Name: N-[(Z)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)-5-imidazo[2,1-b]thiazolyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
IUPAC NAME: N-[(Z)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SYSTEMATIC NAME: N-[(Z)-[2-chloranyl-6-(2,5-dimethoxy-4-nitro-phenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
MOLECULAR FORMULA: C17H16ClN7O4S
MOLECULAR WEIGHT: 449.87144
SMILES: COC1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)/C=N\NC4=NCCN4)OC)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 2-chloro-5-[(Z)-(diaminomethylenehydrazono)methyl]imidazo[2,1-b]thiazole-6-carboxylate
CAS Name: 2-chloro-5-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-6-imidazo[2,1-b]thiazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-chloro-5-[(Z)-(diaminomethylidenehydrazinylidene)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 5-[(Z)-[bis(azanyl)methylidenehydrazinylidene]methyl]-2-chloranyl-imidazo[2,1-b][1,3]thiazole-6-carboxylate
MOLECULAR FORMULA: C10H11ClN6O2S
MOLECULAR WEIGHT: 314.75134
SMILES: CCOC(=O)C1=C(N2C=C(SC2=N1)Cl)/C=N\N=C(N)N
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Product OPENEYE NAME: N-(2-anilino-2-oxo-ethyl)-7-(hydroxyamino)-7-oxo-N-[2-oxo-2-(8-quinolylamino)ethyl]heptanamide
CAS Name: N'-(2-anilino-2-oxoethyl)-N-hydroxy-N'-[2-oxo-2-(8-quinolinylamino)ethyl]heptanediamide
IUPAC NAME: N'-(2-anilino-2-oxoethyl)-N-hydroxy-N'-[2-oxo-2-(quinolin-8-ylamino)ethyl]heptanediamide
SYSTEMATIC NAME: N-oxidanyl-N'-(2-oxidanylidene-2-phenylazanyl-ethyl)-N'-[2-oxidanylidene-2-(quinolin-8-ylamino)ethyl]heptanediamide
MOLECULAR FORMULA: C26H29N5O5
MOLECULAR WEIGHT: 491.53896
SMILES: C1=CC=C(C=C1)NC(=O)CN(CC(=O)NC2=CC=CC3=C2N=CC=C3)C(=O)CCCCCC(=O)NO
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Product OPENEYE NAME: 2-[3-(1-benzyl-8-chloro-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-3-yl)propyl]guanidine
CAS Name: 2-[3-[8-chloro-2,5-dioxo-1-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepin-3-yl]propyl]guanidine
IUPAC NAME: 2-[3-(1-benzyl-8-chloro-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-3-yl)propyl]guanidine
SYSTEMATIC NAME: 2-[3-[8-chloranyl-2,5-bis(oxidanylidene)-1-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepin-3-yl]propyl]guanidine
MOLECULAR FORMULA: C20H22ClN5O2
MOLECULAR WEIGHT: 399.87398
SMILES: C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)Cl)C(=O)NC(C2=O)CCCN=C(N)N
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Product OPENEYE NAME: 1-benzyl-3-[(1-benzylindol-3-yl)methyl]-9-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CAS Name: 9-methyl-1-(phenylmethyl)-3-[[1-(phenylmethyl)-3-indolyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
IUPAC NAME: 1-benzyl-3-[(1-benzylindol-3-yl)methyl]-9-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SYSTEMATIC NAME: 9-methyl-1-(phenylmethyl)-3-[[1-(phenylmethyl)indol-3-yl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
MOLECULAR FORMULA: C33H29N3O2
MOLECULAR WEIGHT: 499.60226
SMILES: CC1=CC=CC2=C1N(C(=O)C(NC2=O)CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6
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Product OPENEYE NAME: 2-[2-bromo-N-(2-hydroxyethyl)-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanol
CAS Name: 2-[2-bromo-N-(2-hydroxyethyl)-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]ethanol
IUPAC NAME: 2-[2-bromo-N-(2-hydroxyethyl)-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanol
SYSTEMATIC NAME: 2-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]-(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C17H18BrN5O2
MOLECULAR WEIGHT: 404.26112
SMILES: C1=CC(=C(C(=C1)Br)N(CCO)CCO)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 2-[3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propyl-(2-hydroxyethyl)amino]ethanol
CAS Name: 2-[3-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]propyl-(2-hydroxyethyl)amino]ethanol
IUPAC NAME: 2-[3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propyl-(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: 2-[3-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]propyl-(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C20H25BrN6O2
MOLECULAR WEIGHT: 461.3555
SMILES: C1=CC(=C(C(=C1)Br)NCCCN(CCO)CCO)NC2=NC=NC3=C2C=NC=C3
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