Monday, February 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2R)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2R)-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: N-(3-methoxypropyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(3-methoxypropyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(3-methoxypropyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(3-methoxypropyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C17H21N3O2S
MOLECULAR WEIGHT: 331.43254
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCCOC
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Product OPENEYE NAME: benzhydryl-methyl-[2-(2-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: (diphenylmethyl)-methyl-[2-(2-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: benzhydryl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: (diphenylmethyl)-methyl-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C23H25N2O+
MOLECULAR WEIGHT: 345.4574
SMILES: CC1=CC=CC=C1NC(=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-(o-tolyl)acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-(2-methylphenyl)acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-(2-methylphenyl)ethanamide
MOLECULAR FORMULA: C23H24N2O
MOLECULAR WEIGHT: 344.44946
SMILES: CC1=CC=CC=C1NC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [(1R)-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 [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-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: 1-(2-chloro-5-nitro-phenyl)-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiourea
CAS Name: 1-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-3-[[(2R)-2-oxolanyl]methyl]thiourea
IUPAC NAME: 1-(2-chloro-5-nitrophenyl)-3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiourea
SYSTEMATIC NAME: 1-(2-chloranyl-5-nitro-phenyl)-3-[[(2R)-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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Product OPENEYE NAME: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-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] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2R)-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: benzhydryl-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: (diphenylmethyl)-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: benzhydryl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: (diphenylmethyl)-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C23H25N2O+
MOLECULAR WEIGHT: 345.4574
SMILES: CC1=CC=C(C=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-(p-tolyl)acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C23H24N2O
MOLECULAR WEIGHT: 344.44946
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C14H15N3OS
MOLECULAR WEIGHT: 273.3534
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC
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Product OPENEYE NAME: [(1S)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2S)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H22N2O5
MOLECULAR WEIGHT: 298.33488
SMILES: C[C@@H](C(=O)NC(=O)NC1CCCC1)OC(=O)[C@@H]2CCCO2
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Product OPENEYE NAME: [(1R)-1-methyl-2-[2-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[[2-[(2R)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H25NO5
MOLECULAR WEIGHT: 407.459
SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)[C@@H](C)OC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: benzhydryl-[2-(3,4-difluoroanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(3,4-difluoroanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-(3,4-difluoroanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[[3,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C22H21F2N2O+
MOLECULAR WEIGHT: 367.411746
SMILES: C[NH+](CC(=O)NC1=CC(=C(C=C1)F)F)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(3,4-difluorophenyl)acetamide
CAS Name: N-(3,4-difluorophenyl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(3,4-difluorophenyl)acetamide
SYSTEMATIC NAME: N-[3,4-bis(fluoranyl)phenyl]-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C22H20F2N2O
MOLECULAR WEIGHT: 366.403806
SMILES: CN(CC(=O)NC1=CC(=C(C=C1)F)F)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H19N3O3S
MOLECULAR WEIGHT: 393.45886
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCCO4
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Product OPENEYE NAME: [(1R)-1-methyl-2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[[2-[(2S)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H25NO5
MOLECULAR WEIGHT: 407.459
SMILES: CC[C@H](C)C1=CC=CC=C1NC(=O)[C@@H](C)OC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: 1-(adamantane-1-carbonylamino)-3-(2-methylallyl)thiourea
CAS Name: 1-[[1-adamantyl(oxo)methyl]amino]-3-(2-methylprop-2-enyl)thiourea
IUPAC NAME: 1-(adamantane-1-carbonylamino)-3-(2-methylprop-2-enyl)thiourea
SYSTEMATIC NAME: 1-(1-adamantylcarbonylamino)-3-(2-methylprop-2-enyl)thiourea
MOLECULAR FORMULA: C16H25N3OS
MOLECULAR WEIGHT: 307.4542
SMILES: CC(=C)CNC(=S)NNC(=O)C12CC3CC(C1)CC(C3)C2
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Product OPENEYE NAME: [(1S)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2S)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H22N2O5
MOLECULAR WEIGHT: 298.33488
SMILES: C[C@@H](C(=O)NC(=O)NC1CCCC1)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: N-(2-methyl-5-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2-methyl-5-nitrophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2-methyl-5-nitrophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-methyl-5-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C20H18N4O3S
MOLECULAR WEIGHT: 394.44692
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1R)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2R)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H22N2O5
MOLECULAR WEIGHT: 298.33488
SMILES: C[C@H](C(=O)NC(=O)NC1CCCC1)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: [(1S)-1-methyl-2-[2-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[[2-[(2R)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H25NO5
MOLECULAR WEIGHT: 407.459
SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: N-(3-fluorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(3-fluorophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(3-fluorophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(3-fluorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C19H16FN3OS
MOLECULAR WEIGHT: 353.413243
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)F
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Product OPENEYE NAME: N-(2-methyl-4-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2-methyl-4-nitrophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2-methyl-4-nitrophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-methyl-4-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C20H18N4O3S
MOLECULAR WEIGHT: 394.44692
SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: benzhydryl-[2-(2,4-difluoroanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(2,4-difluoroanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-(2,4-difluoroanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C22H21F2N2O+
MOLECULAR WEIGHT: 367.411746
SMILES: C[NH+](CC(=O)NC1=C(C=C(C=C1)F)F)C(C2=CC=CC=C2)C3=CC=CC=C3
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