Thursday, February 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1S)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C23H31N3O4
MOLECULAR WEIGHT: 413.50994
SMILES: CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@@H](C)C(=O)NC3CCCCCC3
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Product OPENEYE NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(o-tolylmethyl)acetamide
CAS Name: N-[(2-methylphenyl)methyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(2-methylphenyl)methyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(2-methylphenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H21N3OS
MOLECULAR WEIGHT: 363.47594
SMILES: CC1=CC=CC=C1CNC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl 1-[2-[1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carbonyl]oxyacetyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]oxyacetyl]piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]carbonyloxyethanoyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C22H28N2O6
MOLECULAR WEIGHT: 416.46752
SMILES: CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C23H31N3O4
MOLECULAR WEIGHT: 413.50994
SMILES: CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C)C(=O)NC3CCCCCC3
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Product OPENEYE NAME: (2-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-anilino-2-oxoethyl) ester
IUPAC NAME: (2-anilino-2-oxoethyl) 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: (2-oxidanylidene-2-phenylazanyl-ethyl) 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C20H20N2O4
MOLECULAR WEIGHT: 352.3838
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C24H27N3O4
MOLECULAR WEIGHT: 421.48888
SMILES: CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@@H](C)C(=O)NC3=C(C=CC=C3C)C
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Product OPENEYE NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]acetamide
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide
MOLECULAR FORMULA: C23H22N4O2S
MOLECULAR WEIGHT: 418.51138
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)N4CCCC4=O
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Product OPENEYE NAME: [(1R)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C24H27N3O4
MOLECULAR WEIGHT: 421.48888
SMILES: CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C)C(=O)NC3=C(C=CC=C3C)C
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Product OPENEYE NAME: [2-(benzylamino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester
IUPAC NAME: [2-(benzylamino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H22N2O4
MOLECULAR WEIGHT: 366.41038
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: N-ethyl-2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]acetamide
CAS Name: N-ethyl-2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]acetamide
IUPAC NAME: N-ethyl-2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]acetamide
SYSTEMATIC NAME: N-ethyl-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]ethanamide
MOLECULAR FORMULA: C17H20N4O2S
MOLECULAR WEIGHT: 344.4313
SMILES: CCNC(=O)CNC(=O)CSC1=NC(=CC(=N1)C)C2=CC=CC=C2
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Product OPENEYE NAME: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C23H24N2O4
MOLECULAR WEIGHT: 392.44766
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)N3CCCC4=CC=CC=C43
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C24H27N3O4
MOLECULAR WEIGHT: 421.48888
SMILES: CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@@H](C)C(=O)NCC3=CC=C(C=C3)C
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C24H27N3O4
MOLECULAR WEIGHT: 421.48888
SMILES: CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C)C(=O)NCC3=CC=C(C=C3)C
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Product OPENEYE NAME: N-ethyl-3-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CAS Name: N-ethyl-3-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzamide
IUPAC NAME: N-ethyl-3-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide
SYSTEMATIC NAME: N-ethyl-3-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]benzamide
MOLECULAR FORMULA: C22H22N4O2S
MOLECULAR WEIGHT: 406.50068
SMILES: CCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C21H28N4O5
MOLECULAR WEIGHT: 416.47082
SMILES: CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C
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Product OPENEYE NAME: [2-(3-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-(3-chloroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-chloroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(3-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=C3)Cl
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Product OPENEYE NAME: N-methyl-3-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CAS Name: N-methyl-3-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzamide
IUPAC NAME: N-methyl-3-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide
SYSTEMATIC NAME: N-methyl-3-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]benzamide
MOLECULAR FORMULA: C21H20N4O2S
MOLECULAR WEIGHT: 392.4741
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC=CC(=C3)C(=O)NC
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