Monday, May 13, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-methyl-2,4-dioxo-N-[2-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CAS Name: 1-methyl-2,4-dioxo-N-[2-[oxo-[[(2R)-2-oxolanyl]methylamino]methyl]phenyl]-6-pyrido[2,3-d]pyrimidinecarboxamide
IUPAC NAME: 1-methyl-2,4-dioxo-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 1-methyl-2,4-bis(oxidanylidene)-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C21H21N5O5
MOLECULAR WEIGHT: 423.42194
SMILES: CN1C2=NC=C(C=C2C(=O)NC1=O)C(=O)NC3=CC=CC=C3C(=O)NC[C@H]4CCCO4
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Product OPENEYE NAME: N-[2-(N-ethyl-3-methyl-anilino)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[2-[ethyl-(3-methylphenyl)amino]ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C20H23N4O2+
MOLECULAR WEIGHT: 351.42222
SMILES: CCN(CCNC(=O)C1=CNC2=CC=CC=[N+]2C1=O)C3=CC=CC(=C3)C
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Product OPENEYE NAME: N-(4-benzyloxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CAS Name: 2,5-dioxo-N-(4-phenylmethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
IUPAC NAME: 2,5-dioxo-N-(4-phenylmethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
SYSTEMATIC NAME: 2,5-bis(oxidanylidene)-N-(4-phenylmethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
MOLECULAR FORMULA: C23H20N2O4
MOLECULAR WEIGHT: 388.4159
SMILES: C1CC2=C(C=C(C(=O)N2)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)C1
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Product OPENEYE NAME: N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C19H20N3O4+
MOLECULAR WEIGHT: 354.3798
SMILES: CN(CC1=C(C=C(C=C1)OC)OC)C(=O)C2=CNC3=CC=CC=[N+]3C2=O
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Product OPENEYE NAME: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C18H17FN3O2S+
MOLECULAR WEIGHT: 358.409883
SMILES: C1=CC=[N+]2C(=C1)NC=C(C2=O)C(=O)NCCCSC3=CC=C(C=C3)F
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Product OPENEYE NAME: N-[(2S)-2-(4-fluorophenyl)-2-morpholino-ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C21H22FN4O3+
MOLECULAR WEIGHT: 397.422783
SMILES: C1COCCN1[C@H](CNC(=O)C2=CNC3=CC=CC=[N+]3C2=O)C4=CC=C(C=C4)F
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Product OPENEYE NAME: N-[(2R)-2-(4-fluorophenyl)-2-morpholino-ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C21H22FN4O3+
MOLECULAR WEIGHT: 397.422783
SMILES: C1COCCN1[C@@H](CNC(=O)C2=CNC3=CC=CC=[N+]3C2=O)C4=CC=C(C=C4)F
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Product OPENEYE NAME: methyl 2-methoxy-5-[[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]methyl]benzoate
CAS Name: 2-methoxy-5-[[[oxo-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)methyl]amino]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 2-methoxy-5-[[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]methyl]benzoate
SYSTEMATIC NAME: methyl 2-methoxy-5-[[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)carbonylamino]methyl]benzoate
MOLECULAR FORMULA: C19H18N3O5+
MOLECULAR WEIGHT: 368.36332
SMILES: COC1=C(C=C(C=C1)CNC(=O)C2=CNC3=CC=CC=[N+]3C2=O)C(=O)OC
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Product OPENEYE NAME: 1-benzyl-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]triazole-4-carboxamide
CAS Name: N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)-4-triazolecarboxamide
IUPAC NAME: 1-benzyl-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]triazole-4-carboxamide
SYSTEMATIC NAME: N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide
MOLECULAR FORMULA: C20H18N6O2
MOLECULAR WEIGHT: 374.39592
SMILES: CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CN(N=N3)CC4=CC=CC=C4
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Product OPENEYE NAME: N-[2-(4-tert-butylphenoxy)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[2-(4-tert-butylphenoxy)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[2-(4-tert-butylphenoxy)ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C21H24N3O3+
MOLECULAR WEIGHT: 366.43356
SMILES: CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2=CNC3=CC=CC=[N+]3C2=O
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Product OPENEYE NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C18H17FN3O2S+
MOLECULAR WEIGHT: 358.409883
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)C2=CNC3=CC=CC=[N+]3C2=O)F
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Product OPENEYE NAME: N-(3-benzyloxypropyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: 4-oxo-N-(3-phenylmethoxypropyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: 4-oxo-N-(3-phenylmethoxypropyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: 4-oxidanylidene-N-(3-phenylmethoxypropyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C19H20N3O3+
MOLECULAR WEIGHT: 338.3804
SMILES: C1=CC=C(C=C1)COCCCNC(=O)C2=CNC3=CC=CC=[N+]3C2=O
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Product OPENEYE NAME: N-[[4-(diethylamino)phenyl]methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
CAS Name: N-[[4-(diethylamino)phenyl]methyl]-N-methyl-2-(1-phenyl-4-pyrazolyl)acetamide
IUPAC NAME: N-[[4-(diethylamino)phenyl]methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
SYSTEMATIC NAME: N-[[4-(diethylamino)phenyl]methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)ethanamide
MOLECULAR FORMULA: C23H28N4O
MOLECULAR WEIGHT: 376.49462
SMILES: CCN(CC)C1=CC=C(C=C1)CN(C)C(=O)CC2=CN(N=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-[2-(N-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CAS Name: N-[2-(N-methylanilino)ethyl]-2-(1-phenyl-4-pyrazolyl)acetamide
IUPAC NAME: N-[2-(N-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SYSTEMATIC NAME: N-[2-[methyl(phenyl)amino]ethyl]-2-(1-phenylpyrazol-4-yl)ethanamide
MOLECULAR FORMULA: C20H22N4O
MOLECULAR WEIGHT: 334.41488
SMILES: CN(CCNC(=O)CC1=CN(N=C1)C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 1-methyl-6-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CAS Name: 1-methyl-6-[oxo(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
IUPAC NAME: 1-methyl-6-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-methyl-6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylcarbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C20H17N5O3
MOLECULAR WEIGHT: 375.38068
SMILES: CN1C2=NC=C(C=C2C(=O)NC1=O)C(=O)N3CCC4=C(C3)C5=CC=CC=C5N4
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Product OPENEYE NAME: N-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridyl]acetyl]imino-4-fluoro-benzamide
CAS Name: N-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-1-oxoethyl]imino-4-fluorobenzamide
IUPAC NAME: N-[2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetyl]imino-4-fluorobenzamide
SYSTEMATIC NAME: N-[2-[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoylimino]-4-fluoranyl-benzamide
MOLECULAR FORMULA: C15H8ClF4N3O3
MOLECULAR WEIGHT: 389.688933
SMILES: C1=CC(=CC=C1C(=O)N=NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F)F
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Product OPENEYE NAME: 4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzamide
CAS Name: 4-[[(2S)-2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]sulfonyl]benzamide
IUPAC NAME: 4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzamide
SYSTEMATIC NAME: 4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzamide
MOLECULAR FORMULA: C19H22N2O5S
MOLECULAR WEIGHT: 390.45338
SMILES: COC1=C(C=C(C=C1)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)C(=O)N)OC
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