Monday, February 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
CAS Name: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-1-(4-fluorophenyl)ethanone
IUPAC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
SYSTEMATIC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
MOLECULAR FORMULA: C24H21FN6OS
MOLECULAR WEIGHT: 460.526543
SMILES: CC1=C(C(=NN1)C)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)C5=CC=C(C=C5)F
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Product OPENEYE NAME: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
CAS Name: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(4-nitrophenyl)methylthio]-[1,2,4]triazolo[1,5-c]quinazoline
IUPAC NAME: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
SYSTEMATIC NAME: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
MOLECULAR FORMULA: C23H21N7O2S
MOLECULAR WEIGHT: 459.52354
SMILES: CC1=C(C(=NN1)C)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC5=CC=C(C=C5)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
CAS Name: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(4-fluorophenyl)methylthio]-[1,2,4]triazolo[1,5-c]quinazoline
IUPAC NAME: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
SYSTEMATIC NAME: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
MOLECULAR FORMULA: C23H21FN6S
MOLECULAR WEIGHT: 432.516443
SMILES: CC1=C(C(=NN1)C)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC5=CC=C(C=C5)F
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Product OPENEYE NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(4-ethylphenyl)butanamide
CAS Name: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-(4-ethylphenyl)butanamide
IUPAC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(4-ethylphenyl)butanamide
SYSTEMATIC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(4-ethylphenyl)butanamide
MOLECULAR FORMULA: C28H31N7OS
MOLECULAR WEIGHT: 513.65704
SMILES: CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=CC=CC=C3C4=NC(=NN42)CCC5=C(NN=C5C)C
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Product OPENEYE NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxyphenyl)butanamide
CAS Name: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-(3-methoxyphenyl)butanamide
IUPAC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxyphenyl)butanamide
SYSTEMATIC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxyphenyl)butanamide
MOLECULAR FORMULA: C27H29N7O2S
MOLECULAR WEIGHT: 515.62986
SMILES: CCC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC3=CC=CC=C3C4=NC(=NN42)CCC5=C(NN=C5C)C
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Product OPENEYE NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(p-tolylmethyl)butanamide
CAS Name: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-[(4-methylphenyl)methyl]butanamide
IUPAC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]butanamide
SYSTEMATIC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]butanamide
MOLECULAR FORMULA: C28H31N7OS
MOLECULAR WEIGHT: 513.65704
SMILES: CCC(C(=O)NCC1=CC=C(C=C1)C)SC2=NC3=CC=CC=C3C4=NC(=NN42)CCC5=C(NN=C5C)C
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Product OPENEYE NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CAS Name: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-(4-fluorophenyl)acetamide
IUPAC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide
MOLECULAR FORMULA: C24H22FN7OS
MOLECULAR WEIGHT: 475.541183
SMILES: CC1=C(C(=NN1)C)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)NC5=CC=C(C=C5)F
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Product OPENEYE NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(m-tolyl)acetamide
CAS Name: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-(3-methylphenyl)acetamide
IUPAC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(3-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(3-methylphenyl)ethanamide
MOLECULAR FORMULA: C25H25N7OS
MOLECULAR WEIGHT: 471.5773
SMILES: CC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC(=NN42)CCC5=C(NN=C5C)C
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Product OPENEYE NAME: 5-[(6-methyl-2-morpholino-pyrimidin-4-yl)sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione
CAS Name: 5-[[[6-methyl-2-(4-morpholinyl)-4-pyrimidinyl]thio]methyl]-3H-1,3,4-oxadiazole-2-thione
IUPAC NAME: 5-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione
SYSTEMATIC NAME: 5-[(6-methyl-2-morpholin-4-yl-pyrimidin-4-yl)sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione
MOLECULAR FORMULA: C12H15N5O2S2
MOLECULAR WEIGHT: 325.4098
SMILES: CC1=CC(=NC(=N1)N2CCOCC2)SCC3=NNC(=S)O3
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Product OPENEYE NAME: N-(3-methoxyphenyl)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
CAS Name: N-(3-methoxyphenyl)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
IUPAC NAME: N-(3-methoxyphenyl)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
SYSTEMATIC NAME: N-(3-methoxyphenyl)-3-methyl-4-oxidanylidene-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
MOLECULAR FORMULA: C20H18F3N3O3S
MOLECULAR WEIGHT: 437.43543
SMILES: CN1C(=O)CC(SC1=NC2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)OC
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Product OPENEYE NAME: N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-oxo-chromene-3-carboxamide
CAS Name: N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-oxo-1-benzopyran-3-carboxamide
IUPAC NAME: N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide
SYSTEMATIC NAME: N-[2-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]-2-oxidanylidene-chromene-3-carboxamide
MOLECULAR FORMULA: C23H13ClN2O4
MOLECULAR WEIGHT: 416.81332
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=CC=CC=C3C4=NC5=C(O4)C=CC(=C5)Cl
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Product OPENEYE NAME: N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CAS Name: N-[1-(1-ethyl-2-benzimidazolyl)ethyl]-2-thiophenecarboxamide
IUPAC NAME: N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C16H17N3OS
MOLECULAR WEIGHT: 299.39068
SMILES: CCN1C2=CC=CC=C2N=C1C(C)NC(=O)C3=CC=CS3
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