Thursday, February 28, 2013

All Chemical Compounds Information



Product OPENEYE NAME: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2R)-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: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic 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] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C20H26N4O5
MOLECULAR WEIGHT: 402.44424
SMILES: CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)C
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Product OPENEYE NAME: [2-(4-ethylanilino)-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-ethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-ethylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H24N2O4
MOLECULAR WEIGHT: 380.43696
SMILES: CCC1=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: [(1R)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic 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] 3-butyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C20H26N4O5
MOLECULAR WEIGHT: 402.44424
SMILES: CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C)C(=O)NC(=O)NC(C)C
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Product OPENEYE NAME: 5-(2-furyl)-3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]isoxazole
CAS Name: 5-(2-furanyl)-3-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]isoxazole
IUPAC NAME: 5-(furan-2-yl)-3-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-1,2-oxazole
SYSTEMATIC NAME: 5-(furan-2-yl)-3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-1,2-oxazole
MOLECULAR FORMULA: C19H15N3O2S
MOLECULAR WEIGHT: 349.4063
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=NOC(=C3)C4=CC=CO4
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Product OPENEYE NAME: [2-[benzyl(methyl)amino]-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[methyl-(phenylmethyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H24N2O4
MOLECULAR WEIGHT: 380.43696
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)N(C)CC3=CC=CC=C3
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Product OPENEYE NAME: N-[2-(2-methoxyphenyl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[2-(2-methoxyphenyl)ethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[2-(2-methoxyphenyl)ethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[2-(2-methoxyphenyl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C22H23N3O2S
MOLECULAR WEIGHT: 393.50192
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCC3=CC=CC=C3OC
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Product OPENEYE NAME: [(1S)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C19H17NO6
MOLECULAR WEIGHT: 355.34138
SMILES: C[C@@H](C(=O)NC(=O)OC)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [2-(3-chloro-2-methyl-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-(3-chloro-2-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H21ClN2O4
MOLECULAR WEIGHT: 400.85544
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=C(C(=CC=C3)Cl)C
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Product OPENEYE NAME: (2R)-2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]-N-propyl-propanamide
CAS Name: (2R)-2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-N-propylpropanamide
IUPAC NAME: (2R)-2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylpropanamide
SYSTEMATIC NAME: (2R)-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]-N-propyl-propanamide
MOLECULAR FORMULA: C19H24N4O2S
MOLECULAR WEIGHT: 372.48446
SMILES: CCCNC(=O)[C@@H](C)NC(=O)CSC1=NC(=CC(=N1)C)C2=CC=CC=C2
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