Wednesday, February 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-(1-piperidyl)propan-1-one
CAS Name: (2S)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-(1-piperidinyl)-1-propanone
IUPAC NAME: (2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylpropan-1-one
SYSTEMATIC NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-piperidin-1-yl-propan-1-one
MOLECULAR FORMULA: C19H23N3OS
MOLECULAR WEIGHT: 341.47042
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)N3CCCCC3
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Product OPENEYE NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-(1-piperidyl)propan-1-one
CAS Name: (2R)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-(1-piperidinyl)-1-propanone
IUPAC NAME: (2R)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylpropan-1-one
SYSTEMATIC NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-piperidin-1-yl-propan-1-one
MOLECULAR FORMULA: C19H23N3OS
MOLECULAR WEIGHT: 341.47042
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)N3CCCCC3
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Product OPENEYE NAME: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester
IUPAC NAME: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H13ClN2O5
MOLECULAR WEIGHT: 396.78062
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: [4-(difluoromethoxy)-3-methoxy-phenyl]methyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [4-(difluoromethoxy)-3-methoxyphenyl]methyl ester
IUPAC NAME: [4-(difluoromethoxy)-3-methoxyphenyl]methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H16F2O6
MOLECULAR WEIGHT: 390.334246
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC3=CC(=C(C=C3)OC(F)F)OC
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Product OPENEYE NAME: [(1S)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C21H25NO4
MOLECULAR WEIGHT: 355.4275
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)CCC2=CC=C(C=C2)OC)C
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Product OPENEYE NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-yl-propan-1-one
CAS Name: (2S)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-(1-pyrrolidinyl)-1-propanone
IUPAC NAME: (2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
SYSTEMATIC NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-yl-propan-1-one
MOLECULAR FORMULA: C18H21N3OS
MOLECULAR WEIGHT: 327.44384
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)N3CCCC3
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Product OPENEYE NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-yl-propan-1-one
CAS Name: (2R)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-(1-pyrrolidinyl)-1-propanone
IUPAC NAME: (2R)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
SYSTEMATIC NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-yl-propan-1-one
MOLECULAR FORMULA: C18H21N3OS
MOLECULAR WEIGHT: 327.44384
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)N3CCCC3
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Product OPENEYE NAME: [2-[methyl-[(1R)-tetralin-1-yl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H23NO5
MOLECULAR WEIGHT: 405.44312
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N(C)[C@@H]3CCCC4=CC=CC=C34
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Product OPENEYE NAME: [(1R)-2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C21H25NO5
MOLECULAR WEIGHT: 371.4269
SMILES: CCOC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: 1-[(3-chlorobenzoyl)amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CAS Name: 1-[[(3-chlorophenyl)-oxomethyl]amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-[(3-chlorobenzoyl)amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
SYSTEMATIC NAME: 1-[(3-chlorophenyl)carbonylamino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
MOLECULAR FORMULA: C15H20ClN3OS
MOLECULAR WEIGHT: 325.8568
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)C2=CC(=CC=C2)Cl
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Product OPENEYE NAME: ethyl (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-acetate
CAS Name: (2R)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-2-phenylacetic acid ethyl ester
IUPAC NAME: ethyl (2R)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetate
SYSTEMATIC NAME: ethyl (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C21H20N2O2S
MOLECULAR WEIGHT: 364.4607
SMILES: CCOC(=O)[C@@H](C1=CC=CC=C1)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C21H25NO5
MOLECULAR WEIGHT: 371.4269
SMILES: CCOC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [2-[methyl-[(1S)-tetralin-1-yl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H23NO5
MOLECULAR WEIGHT: 405.44312
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N(C)[C@H]3CCCC4=CC=CC=C34
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Product OPENEYE NAME: 1-[(3-chlorobenzoyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CAS Name: 1-[[(3-chlorophenyl)-oxomethyl]amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-[(3-chlorobenzoyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
SYSTEMATIC NAME: 1-[(3-chlorophenyl)carbonylamino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
MOLECULAR FORMULA: C15H20ClN3OS
MOLECULAR WEIGHT: 325.8568
SMILES: C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)C2=CC(=CC=C2)Cl
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Product OPENEYE NAME: 1-[(3-chlorobenzoyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CAS Name: 1-[[(3-chlorophenyl)-oxomethyl]amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-[(3-chlorobenzoyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
SYSTEMATIC NAME: 1-[(3-chlorophenyl)carbonylamino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
MOLECULAR FORMULA: C15H20ClN3OS
MOLECULAR WEIGHT: 325.8568
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)C2=CC(=CC=C2)Cl
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Product OPENEYE NAME: ethyl (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-acetate
CAS Name: (2S)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-2-phenylacetic acid ethyl ester
IUPAC NAME: ethyl (2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetate
SYSTEMATIC NAME: ethyl (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C21H20N2O2S
MOLECULAR WEIGHT: 364.4607
SMILES: CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(2,6-dichloroanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[[2,6-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H19Cl2NO4
MOLECULAR WEIGHT: 396.26446
SMILES: C[C@@H](C(=O)NC1=C(C=CC=C1Cl)Cl)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H15ClO6
MOLECULAR WEIGHT: 386.7825
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)Cl
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