Thursday, February 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C20H21NO5
MOLECULAR WEIGHT: 355.38444
SMILES: C[C@H](C(=O)NCCOC)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [2-(2-furylmethylamino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C19H20N2O5
MOLECULAR WEIGHT: 356.3725
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NCC3=CC=CO3
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Product OPENEYE NAME: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H24N2O6
MOLECULAR WEIGHT: 412.43576
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=C(C=CC(=C3)OC)OC
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Product OPENEYE NAME: N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[2-(2-fluorophenyl)ethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H20FN3OS
MOLECULAR WEIGHT: 381.466403
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCC3=CC=CC=C3F
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Product OPENEYE NAME: [2-(2-chloroanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2-chloroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-chloroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C20H19ClN2O4
MOLECULAR WEIGHT: 386.82886
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=CC=CC=C3Cl
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Product OPENEYE NAME: N-[(1S)-1-cyclopropylethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(1S)-1-cyclopropylethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(1S)-1-cyclopropylethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(1S)-1-cyclopropylethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C18H21N3OS
MOLECULAR WEIGHT: 327.44384
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N[C@@H](C)C3CC3
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Product OPENEYE NAME: [2-(2-cyanoanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2-cyanoanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-cyanoanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H19N3O4
MOLECULAR WEIGHT: 377.39326
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=CC=CC=C3C#N
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Product OPENEYE NAME: N-[(1R)-1-cyclopropylethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(1R)-1-cyclopropylethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(1R)-1-cyclopropylethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(1R)-1-cyclopropylethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C18H21N3OS
MOLECULAR WEIGHT: 327.44384
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N[C@H](C)C3CC3
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Product OPENEYE NAME: [(1S)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-[[(3R)-1,1-dioxo-3-thiolanyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C21H21NO6S
MOLECULAR WEIGHT: 415.45954
SMILES: C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N,N-dimethyl-2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]acetamide
CAS Name: N,N-dimethyl-2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]acetamide
IUPAC NAME: N,N-dimethyl-2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]acetamide
SYSTEMATIC NAME: N,N-dimethyl-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]ethanamide
MOLECULAR FORMULA: C17H20N4O2S
MOLECULAR WEIGHT: 344.4313
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCC(=O)N(C)C
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Product OPENEYE NAME: [(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2R)-1-[[(3R)-1,1-dioxo-3-thiolanyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R)-1-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C21H21NO6S
MOLECULAR WEIGHT: 415.45954
SMILES: C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester
IUPAC NAME: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C23H23N3O4
MOLECULAR WEIGHT: 405.44642
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(4-methylanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(4-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-methylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H22N2O4
MOLECULAR WEIGHT: 366.41038
SMILES: CC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: [(1S)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-[[(3S)-1,1-dioxo-3-thiolanyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C21H21NO6S
MOLECULAR WEIGHT: 415.45954
SMILES: C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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