Thursday, February 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-1-(3-nitrophenyl)ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester
IUPAC NAME: [(1R)-1-(3-nitrophenyl)ethyl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(1R)-1-(3-nitrophenyl)ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C21H21N3O5
MOLECULAR WEIGHT: 395.40854
SMILES: CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C)C3=CC(=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-[2-(2-methoxyphenoxy)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[2-(2-methoxyphenoxy)ethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[2-(2-methoxyphenoxy)ethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[2-(2-methoxyphenoxy)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C22H23N3O3S
MOLECULAR WEIGHT: 409.50132
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCOC3=CC=CC=C3OC
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Product OPENEYE NAME: [(1S)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2S)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C18H21N3O6
MOLECULAR WEIGHT: 375.37584
SMILES: CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@@H](C)C(=O)NC(=O)OC
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Product OPENEYE NAME: [(1R)-2-oxocyclohexyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(1R)-2-oxocyclohexyl] ester
IUPAC NAME: [(1R)-2-oxocyclohexyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(1R)-2-oxidanylidenecyclohexyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@@H]3CCCCC3=O
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Product OPENEYE NAME: [(1R)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C18H21N3O6
MOLECULAR WEIGHT: 375.37584
SMILES: CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C)C(=O)NC(=O)OC
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Product OPENEYE NAME: (2S)-N,N-dimethyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-acetamide
CAS Name: (2S)-N,N-dimethyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-2-phenylacetamide
IUPAC NAME: (2S)-N,N-dimethyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetamide
SYSTEMATIC NAME: (2S)-N,N-dimethyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-ethanamide
MOLECULAR FORMULA: C21H21N3OS
MOLECULAR WEIGHT: 363.47594
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C3=CC=CC=C3)C(=O)N(C)C
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Product OPENEYE NAME: [(1S)-2-oxocyclohexyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(1S)-2-oxocyclohexyl] ester
IUPAC NAME: [(1S)-2-oxocyclohexyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(1S)-2-oxidanylidenecyclohexyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@H]3CCCCC3=O
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Product OPENEYE NAME: (2R)-N,N-dimethyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-acetamide
CAS Name: (2R)-N,N-dimethyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-2-phenylacetamide
IUPAC NAME: (2R)-N,N-dimethyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetamide
SYSTEMATIC NAME: (2R)-N,N-dimethyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-ethanamide
MOLECULAR FORMULA: C21H21N3OS
MOLECULAR WEIGHT: 363.47594
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C3=CC=CC=C3)C(=O)N(C)C
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Product OPENEYE NAME: [2-(N-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-(N-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(N-methylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[methyl(phenyl)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(N1CC2=CC=CO2)C)C(=O)OCC(=O)N(C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-oxo-1-(2-oxo-1-imidazolidinyl)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C19H22N4O5
MOLECULAR WEIGHT: 386.40178
SMILES: CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@@H](C)C(=O)N3CCNC3=O
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Product OPENEYE NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-prop-2-ynyl-acetamide
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-prop-2-ynylacetamide
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylacetamide
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-prop-2-ynyl-ethanamide
MOLECULAR FORMULA: C16H15N3OS
MOLECULAR WEIGHT: 297.3748
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCC#C
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Product OPENEYE NAME: [2-(4-fluorophenyl)-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-fluorophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-fluorophenyl)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C20H18FNO4
MOLECULAR WEIGHT: 355.359623
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-oxo-1-(2-oxo-1-imidazolidinyl)propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C19H22N4O5
MOLECULAR WEIGHT: 386.40178
SMILES: CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C)C(=O)N3CCNC3=O
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Product OPENEYE NAME: N-(2-ethylphenyl)-2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]acetamide
CAS Name: N-(2-ethylphenyl)-2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]acetamide
IUPAC NAME: N-(2-ethylphenyl)-2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]acetamide
SYSTEMATIC NAME: N-(2-ethylphenyl)-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]ethanamide
MOLECULAR FORMULA: C23H24N4O2S
MOLECULAR WEIGHT: 420.52726
SMILES: CCC1=CC=CC=C1NC(=O)CNC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(2,5-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(=C3)C)C
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Product OPENEYE NAME: [2-(3-acetylanilino)-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-acetylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-acetylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H22N2O5
MOLECULAR WEIGHT: 394.42048
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=CC=CC(=C3)C(=O)C
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Product OPENEYE NAME: [(1R)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(2,5-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(=C3)C)C
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Product OPENEYE NAME: (2-morpholino-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-morpholinyl)-2-oxoethyl] ester
IUPAC NAME: (2-morpholin-4-yl-2-oxoethyl) 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C18H22N2O5
MOLECULAR WEIGHT: 346.37768
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)N3CCOCC3
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Product OPENEYE NAME: [(1S)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C19H25N3O5
MOLECULAR WEIGHT: 375.4189
SMILES: CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@@H](C)C(=O)NCCOC
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Product OPENEYE NAME: methyl (2S,3R)-3-methyl-2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]pentanoate
CAS Name: (2S,3R)-3-methyl-2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]pentanoic acid methyl ester
IUPAC NAME: methyl (2S,3R)-3-methyl-2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]pentanoate
SYSTEMATIC NAME: methyl (2S,3R)-3-methyl-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]pentanoate
MOLECULAR FORMULA: C20H25N3O3S
MOLECULAR WEIGHT: 387.4958
SMILES: CC[C@@H](C)[C@@H](C(=O)OC)NC(=O)CSC1=NC(=CC(=N1)C)C2=CC=CC=C2
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