Sunday, February 24, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2R)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C16H20N2O5
MOLECULAR WEIGHT: 320.3404
SMILES: C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)[C@@H]2CCCO2
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Product OPENEYE NAME: 1-(3,4-difluorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-(3,4-difluorophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-(3,4-difluorophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-[3,4-bis(fluoranyl)phenyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C19H14F2N2OS
MOLECULAR WEIGHT: 356.389066
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC(=C(C=C3)F)F
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Product OPENEYE NAME: [(1R)-2-(cyclopropylamino)-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-(cyclopropylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C17H17NO5
MOLECULAR WEIGHT: 315.32058
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@H](C)C(=O)NC3CC3
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Product OPENEYE NAME: benzhydryl-[2-[(2-fluorophenyl)carbamoylamino]-2-oxo-ethyl]-methyl-ammonium
CAS Name: (diphenylmethyl)-[2-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxoethyl]-methylammonium
IUPAC NAME: benzhydryl-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: (diphenylmethyl)-[2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C23H23FN3O2+
MOLECULAR WEIGHT: 392.446023
SMILES: C[NH+](CC(=O)NC(=O)NC1=CC=CC=C1F)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-[(2-fluorophenyl)carbamoyl]acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-[(2-fluoroanilino)-oxomethyl]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-[(2-fluorophenyl)carbamoyl]acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-[(2-fluorophenyl)carbamoyl]ethanamide
MOLECULAR FORMULA: C23H22FN3O2
MOLECULAR WEIGHT: 391.438083
SMILES: CN(CC(=O)NC(=O)NC1=CC=CC=C1F)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(4-fluoroanilino)-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-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H16FNO5
MOLECULAR WEIGHT: 369.343143
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-[4-methoxy-3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanone
CAS Name: 1-[4-methoxy-3-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]phenyl]ethanone
IUPAC NAME: 1-[4-methoxy-3-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-methoxy-3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanone
MOLECULAR FORMULA: C21H20N2O2S
MOLECULAR WEIGHT: 364.4607
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=C(C=CC(=C3)C(=O)C)OC
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Product OPENEYE NAME: [(1S)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2S)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C16H20N2O5
MOLECULAR WEIGHT: 320.3404
SMILES: C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: [2-(3-acetylanilino)-2-oxo-ethyl]-benzhydryl-methyl-ammonium
CAS Name: [2-(3-acetylanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: [2-(3-acetylanilino)-2-oxoethyl]-benzhydryl-methylazanium
SYSTEMATIC NAME: (diphenylmethyl)-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C24H25N2O2+
MOLECULAR WEIGHT: 373.4675
SMILES: CC(=O)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: N-(3-acetylphenyl)-2-[benzhydryl(methyl)amino]acetamide
CAS Name: N-(3-acetylphenyl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: N-(3-acetylphenyl)-2-[benzhydryl(methyl)amino]acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-(3-ethanoylphenyl)ethanamide
MOLECULAR FORMULA: C24H24N2O2
MOLECULAR WEIGHT: 372.45956
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-isopropyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-propan-2-ylacetamide
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C16H19N3OS
MOLECULAR WEIGHT: 301.40656
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC(C)C
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Product OPENEYE NAME: [(1R)-2-(4-fluoroanilino)-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-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H16FNO5
MOLECULAR WEIGHT: 369.343143
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: [(1R)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2R)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C16H20N2O5
MOLECULAR WEIGHT: 320.3404
SMILES: C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiourea
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[[[(2S)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]thiourea
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea
MOLECULAR FORMULA: C15H20N4O3S2
MOLECULAR WEIGHT: 368.4743
SMILES: C1C[C@H](OC1)CNC(=S)NNC(=S)NCC2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-1,3-benzothiazole
CAS Name: 2-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-1,3-benzothiazole
IUPAC NAME: 2-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzothiazole
SYSTEMATIC NAME: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-1,3-benzothiazole
MOLECULAR FORMULA: C19H15N3S2
MOLECULAR WEIGHT: 349.4725
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[[2,3,4-tris(fluoranyl)phenyl]amino]propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H14F3NO5
MOLECULAR WEIGHT: 405.32407
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C)C(=O)NC3=C(C(=C(C=C3)F)F)F
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Product OPENEYE NAME: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-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: N-(2,4-dimethoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2,4-dimethoxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2,4-dimethoxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2,4-dimethoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H21N3O3S
MOLECULAR WEIGHT: 395.47474
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)OC)OC
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