Monday, April 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetate
CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
SYSTEMATIC NAME: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate
MOLECULAR FORMULA: C23H27NO6
MOLECULAR WEIGHT: 413.46358
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@@H](C)OC(=O)COC2=CC=CC3=C2OC(C3)(C)C
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Product OPENEYE NAME: 1-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-3-(2-methylallyl)thiourea
CAS Name: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-3-(2-methylprop-2-enyl)thiourea
IUPAC NAME: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(2-methylprop-2-enyl)thiourea
SYSTEMATIC NAME: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(2-methylprop-2-enyl)thiourea
MOLECULAR FORMULA: C18H21N3O2S2
MOLECULAR WEIGHT: 375.50824
SMILES: CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=S)NCC(=C)C
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Product OPENEYE NAME: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H19NO6
MOLECULAR WEIGHT: 381.37866
SMILES: C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C19H29ClN3O3S+
MOLECULAR WEIGHT: 414.96986
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C19H28ClN3O3S
MOLECULAR WEIGHT: 413.96192
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CAS Name: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C18H28N3O5S+
MOLECULAR WEIGHT: 398.49702
SMILES: C[C@H](C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CAS Name: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]propanamide
IUPAC NAME: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
SYSTEMATIC NAME: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
MOLECULAR FORMULA: C18H27N3O5S
MOLECULAR WEIGHT: 397.48908
SMILES: C[C@H](C(=O)NC1CC1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: 2-(1-adamantyl)-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl]acetamide
CAS Name: 2-(1-adamantyl)-N-[2-[2-[(2-fluorophenyl)methylthio]ethylamino]-2-oxoethyl]acetamide
IUPAC NAME: 2-(1-adamantyl)-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]acetamide
SYSTEMATIC NAME: 2-(1-adamantyl)-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]ethanamide
MOLECULAR FORMULA: C23H31FN2O2S
MOLECULAR WEIGHT: 418.567843
SMILES: C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)NCCSCC4=CC=CC=C4F
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C19H29ClN3O3S+
MOLECULAR WEIGHT: 414.96986
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C19H28ClN3O3S
MOLECULAR WEIGHT: 413.96192
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C19H29ClN3O3S+
MOLECULAR WEIGHT: 414.96986
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C19H28ClN3O3S
MOLECULAR WEIGHT: 413.96192
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-diisopropyl-acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-di(propan-2-yl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)ethanamide
MOLECULAR FORMULA: C18H29ClN3O3S+
MOLECULAR WEIGHT: 402.95916
SMILES: CC(C)N(C(C)C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diisopropyl-acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N,N-di(propan-2-yl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)ethanamide
MOLECULAR FORMULA: C18H28ClN3O3S
MOLECULAR WEIGHT: 401.95122
SMILES: CC(C)N(C(C)C)C(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 1-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-3-(2-fluorophenyl)thiourea
CAS Name: 1-(2-fluorophenyl)-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]thiourea
IUPAC NAME: 1-(2-fluorophenyl)-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiourea
SYSTEMATIC NAME: 1-(2-fluorophenyl)-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]thiourea
MOLECULAR FORMULA: C20H18FN3O2S2
MOLECULAR WEIGHT: 415.504223
SMILES: CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=S)NC3=CC=CC=C3F
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Product OPENEYE NAME: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-propenamide
IUPAC NAME: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
MOLECULAR FORMULA: C20H20FNO3S
MOLECULAR WEIGHT: 373.441103
SMILES: C1COC2=C(O1)C=CC(=C2)/C=C/C(=O)NCCSCC3=CC=CC=C3F
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Product OPENEYE NAME: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[(1S)-1,2-dimethylpropyl]ammonium
CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(2S)-3-methylbutan-2-yl]ammonium
IUPAC NAME: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[(2S)-3-methylbutan-2-yl]azanium
SYSTEMATIC NAME: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-3-methylbutan-2-yl]azanium
MOLECULAR FORMULA: C16H21ClNO2+
MOLECULAR WEIGHT: 294.79644
SMILES: CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+][C@@H](C)C(C)C)Cl
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Product OPENEYE NAME: 6-chloro-4-[[[(1S)-1,2-dimethylpropyl]amino]methyl]-7-methyl-chromen-2-one
CAS Name: 6-chloro-7-methyl-4-[[[(2S)-3-methylbutan-2-yl]amino]methyl]-1-benzopyran-2-one
IUPAC NAME: 6-chloro-7-methyl-4-[[[(2S)-3-methylbutan-2-yl]amino]methyl]chromen-2-one
SYSTEMATIC NAME: 6-chloranyl-7-methyl-4-[[[(2S)-3-methylbutan-2-yl]amino]methyl]chromen-2-one
MOLECULAR FORMULA: C16H20ClNO2
MOLECULAR WEIGHT: 293.7885
SMILES: CC1=C(C=C2C(=CC(=O)OC2=C1)CN[C@@H](C)C(C)C)Cl
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide
MOLECULAR FORMULA: C24H31N5O2+2
MOLECULAR WEIGHT: 421.53524
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=O)N4C(=CC=CC4=N3)C
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C24H29N5O2
MOLECULAR WEIGHT: 419.51936
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC3=CC(=O)N4C(=CC=CC4=N3)C
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Product OPENEYE NAME: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[(1R)-1,2-dimethylpropyl]ammonium
CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-3-methylbutan-2-yl]ammonium
IUPAC NAME: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[(2R)-3-methylbutan-2-yl]azanium
SYSTEMATIC NAME: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-3-methylbutan-2-yl]azanium
MOLECULAR FORMULA: C16H21ClNO2+
MOLECULAR WEIGHT: 294.79644
SMILES: CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+][C@H](C)C(C)C)Cl
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