Monday, February 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C13H22N2O5
MOLECULAR WEIGHT: 286.32418
SMILES: C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)[C@H]1CCCO1
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Product OPENEYE NAME: 1-[(4-methoxyphenyl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiourea
CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]thiourea
IUPAC NAME: 1-[(4-methoxyphenyl)methyl]-3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiourea
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methyl]-3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiourea
MOLECULAR FORMULA: C15H22N4O2S2
MOLECULAR WEIGHT: 354.49078
SMILES: COC1=CC=C(C=C1)CNC(=S)NNC(=S)NC[C@H]2CCCO2
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Product OPENEYE NAME: N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2-cyanoethyl)-N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C17H18N4OS
MOLECULAR WEIGHT: 326.41602
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)CCC#N
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Product OPENEYE NAME: benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C24H27N2O3+
MOLECULAR WEIGHT: 391.48278
SMILES: C[NH+](CC(=O)NC1=C(C=CC(=C1)OC)OC)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CAS Name: N-(2,5-dimethoxyphenyl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
SYSTEMATIC NAME: N-(2,5-dimethoxyphenyl)-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C24H26N2O3
MOLECULAR WEIGHT: 390.47484
SMILES: CN(CC(=O)NC1=C(C=CC(=C1)OC)OC)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [(1R)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H15FN2O7
MOLECULAR WEIGHT: 414.340703
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@H](C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(4-acetylpiperazin-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-(4-acetylpiperazin-1-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-(4-ethanoylpiperazin-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C19H22N4O2S
MOLECULAR WEIGHT: 370.46858
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C(=O)C
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Product OPENEYE NAME: [(1S)-2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H16ClNO5
MOLECULAR WEIGHT: 385.79774
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-butyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-butyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-butyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-butyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C17H21N3OS
MOLECULAR WEIGHT: 315.43314
SMILES: CCCCNC(=O)CSC1=NC(=CC(=N1)C)C2=CC=CC=C2
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Product OPENEYE NAME: benzhydryl-[2-(2-cyanoanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(2-cyanoanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-(2-cyanoanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C23H22N3O+
MOLECULAR WEIGHT: 356.44028
SMILES: C[NH+](CC(=O)NC1=CC=CC=C1C#N)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(2-cyanophenyl)acetamide
CAS Name: N-(2-cyanophenyl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2-cyanophenyl)acetamide
SYSTEMATIC NAME: N-(2-cyanophenyl)-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C23H21N3O
MOLECULAR WEIGHT: 355.43234
SMILES: CN(CC(=O)NC1=CC=CC=C1C#N)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C12H20N2O5
MOLECULAR WEIGHT: 272.2976
SMILES: C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)[C@@H]1CCCO1
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Product OPENEYE NAME: 1-(2-chloro-5-nitro-phenyl)-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiourea
CAS Name: 1-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-3-[[(2S)-2-oxolanyl]methyl]thiourea
IUPAC NAME: 1-(2-chloro-5-nitrophenyl)-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea
SYSTEMATIC NAME: 1-(2-chloranyl-5-nitro-phenyl)-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea
MOLECULAR FORMULA: C13H16ClN5O3S2
MOLECULAR WEIGHT: 389.88084
SMILES: C1C[C@H](OC1)CNC(=S)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl
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