Monday, February 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 2-methyl-5-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylate
CAS Name: 2-methyl-5-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-methyl-5-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-methyl-5-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylate
MOLECULAR FORMULA: C19H18N2O3S
MOLECULAR WEIGHT: 354.42282
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC(=C(O3)C)C(=O)OC
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[[(1S)-tetralin-1-yl]amino]ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 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)O[C@H](C)C(=O)N[C@H]3CCCC4=CC=CC=C34
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Product OPENEYE NAME: 1-[(1R,2S)-2-methylcyclohexyl]-3-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]thiourea
CAS Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]thiourea
IUPAC NAME: 1-[(1R,2S)-2-methylcyclohexyl]-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]thiourea
SYSTEMATIC NAME: 1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]thiourea
MOLECULAR FORMULA: C20H25N3O4S
MOLECULAR WEIGHT: 403.4952
SMILES: C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C
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Product OPENEYE NAME: (2S)-2-(4-bromo-2-fluoro-phenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CAS Name: (2S)-2-(4-bromo-2-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
IUPAC NAME: (2S)-2-(4-bromo-2-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-(4-bromanyl-2-fluoranyl-phenoxy)-N-(3,4-dimethoxyphenyl)propanamide
MOLECULAR FORMULA: C17H17BrFNO4
MOLECULAR WEIGHT: 398.223583
SMILES: C[C@@H](C(=O)NC1=CC(=C(C=C1)OC)OC)OC2=C(C=C(C=C2)Br)F
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Product OPENEYE NAME: benzhydryl-methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]ammonium
CAS Name: (diphenylmethyl)-methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]ammonium
IUPAC NAME: benzhydryl-methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium
SYSTEMATIC NAME: (diphenylmethyl)-methyl-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium
MOLECULAR FORMULA: C24H27N2O+
MOLECULAR WEIGHT: 359.48398
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-[(1R)-1-phenylethyl]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-[(1R)-1-phenylethyl]ethanamide
MOLECULAR FORMULA: C24H26N2O
MOLECULAR WEIGHT: 358.47604
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-1-methyl-2-(2-naphthylamino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-(2-naphthalenylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H19NO5
MOLECULAR WEIGHT: 401.41136
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C)C(=O)NC3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C22H19FN4OS
MOLECULAR WEIGHT: 406.475863
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(CCC#N)C3=CC=CC=C3F
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Product OPENEYE NAME: (2R)-2-(4-bromo-2-fluoro-phenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CAS Name: (2R)-2-(4-bromo-2-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
IUPAC NAME: (2R)-2-(4-bromo-2-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
SYSTEMATIC NAME: (2R)-2-(4-bromanyl-2-fluoranyl-phenoxy)-N-(3,4-dimethoxyphenyl)propanamide
MOLECULAR FORMULA: C17H17BrFNO4
MOLECULAR WEIGHT: 398.223583
SMILES: C[C@H](C(=O)NC1=CC(=C(C=C1)OC)OC)OC2=C(C=C(C=C2)Br)F
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Product OPENEYE NAME: [(1R)-1-methyl-2-(2-naphthylamino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H19NO5
MOLECULAR WEIGHT: 401.41136
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@H](C)C(=O)NC3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: benzhydryl-[2-(2-methoxyanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: (diphenylmethyl)-[2-(2-methoxyanilino)-2-oxoethyl]-methylammonium
IUPAC NAME: benzhydryl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: (diphenylmethyl)-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C23H25N2O2+
MOLECULAR WEIGHT: 361.4568
SMILES: C[NH+](CC(=O)NC1=CC=CC=C1OC)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-(2-methoxyphenyl)acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2-methoxyphenyl)acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-(2-methoxyphenyl)ethanamide
MOLECULAR FORMULA: C23H24N2O2
MOLECULAR WEIGHT: 360.44886
SMILES: CN(CC(=O)NC1=CC=CC=C1OC)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]thiourea
CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]thiourea
IUPAC NAME: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]thiourea
SYSTEMATIC NAME: 1-[(1S,2S)-2-methylcyclohexyl]-3-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]thiourea
MOLECULAR FORMULA: C20H25N3O4S
MOLECULAR WEIGHT: 403.4952
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C
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Product OPENEYE NAME: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C23H22N4O2S
MOLECULAR WEIGHT: 418.51138
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(CCC#N)C3=CC=CC=C3OC
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Product OPENEYE NAME: (2R)-2-(4-bromo-2-fluoro-phenoxy)-N-(3-fluoro-4-methyl-phenyl)propanamide
CAS Name: (2R)-2-(4-bromo-2-fluorophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
IUPAC NAME: (2R)-2-(4-bromo-2-fluorophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
SYSTEMATIC NAME: (2R)-2-(4-bromanyl-2-fluoranyl-phenoxy)-N-(3-fluoranyl-4-methyl-phenyl)propanamide
MOLECULAR FORMULA: C16H14BrF2NO2
MOLECULAR WEIGHT: 370.188666
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H](C)OC2=C(C=C(C=C2)Br)F)F
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Product OPENEYE NAME: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C19H18N2O5
MOLECULAR WEIGHT: 354.35662
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3
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Product OPENEYE NAME: benzhydryl-[2-(4-carbamoylanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(4-carbamoylanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C23H24N3O2+
MOLECULAR WEIGHT: 374.45556
SMILES: C[NH+](CC(=O)NC1=CC=C(C=C1)C(=O)N)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 4-[[2-[benzhydryl(methyl)amino]acetyl]amino]benzamide
CAS Name: 4-[[2-[(diphenylmethyl)-methylamino]-1-oxoethyl]amino]benzamide
IUPAC NAME: 4-[[2-[benzhydryl(methyl)amino]acetyl]amino]benzamide
SYSTEMATIC NAME: 4-[2-[(diphenylmethyl)-methyl-amino]ethanoylamino]benzamide
MOLECULAR FORMULA: C23H23N3O2
MOLECULAR WEIGHT: 373.44762
SMILES: CN(CC(=O)NC1=CC=C(C=C1)C(=O)N)C(C2=CC=CC=C2)C3=CC=CC=C3
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