Thursday, November 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-N-(2-thienylmethyleneamino)acetamide
CAS Name: 2-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethylideneamino)acetamide
IUPAC NAME: 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethylideneamino)acetamide
SYSTEMATIC NAME: 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethylideneamino)ethanamide
MOLECULAR FORMULA: C13H10N6O2S
MOLECULAR WEIGHT: 314.3225
SMILES: C1=CSC(=C1)C=NNC(=O)CC2=NC(=NO2)C3=NC=CN=C3
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Product OPENEYE NAME: 1-(4-chlorophenyl)-2,4-dioxo-3-propyl-pyrimidine-5-carbonitrile
CAS Name: 1-(4-chlorophenyl)-2,4-dioxo-3-propyl-5-pyrimidinecarbonitrile
IUPAC NAME: 1-(4-chlorophenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2,4-bis(oxidanylidene)-3-propyl-pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C14H12ClN3O2
MOLECULAR WEIGHT: 289.71698
SMILES: CCCN1C(=O)C(=CN(C1=O)C2=CC=C(C=C2)Cl)C#N
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Product OPENEYE NAME: 5-methyl-1,2-benzothiazole-3-carboxamide
CAS Name: 5-methyl-1,2-benzothiazole-3-carboxamide
IUPAC NAME: 5-methyl-1,2-benzothiazole-3-carboxamide
SYSTEMATIC NAME: 5-methyl-1,2-benzothiazole-3-carboxamide
MOLECULAR FORMULA: C9H8N2OS
MOLECULAR WEIGHT: 192.23762
SMILES: CC1=CC2=C(C=C1)SN=C2C(=O)N
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Product OPENEYE NAME: (E)-N-acetyl-2-cyano-3-(2-thienylmethylamino)prop-2-enamide
CAS Name: (E)-N-acetyl-2-cyano-3-(thiophen-2-ylmethylamino)-2-propenamide
IUPAC NAME: (E)-N-acetyl-2-cyano-3-(thiophen-2-ylmethylamino)prop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-N-ethanoyl-3-(thiophen-2-ylmethylamino)prop-2-enamide
MOLECULAR FORMULA: C11H11N3O2S
MOLECULAR WEIGHT: 249.28894
SMILES: CC(=O)NC(=O)/C(=C/NCC1=CC=CS1)/C#N
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Product OPENEYE NAME: (E)-N-acetyl-3-(4-benzylpiperazin-1-yl)-2-cyano-prop-2-enamide
CAS Name: (E)-N-acetyl-2-cyano-3-[4-(phenylmethyl)-1-piperazinyl]-2-propenamide
IUPAC NAME: (E)-N-acetyl-3-(4-benzylpiperazin-1-yl)-2-cyanoprop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-N-ethanoyl-3-[4-(phenylmethyl)piperazin-1-yl]prop-2-enamide
MOLECULAR FORMULA: C17H20N4O2
MOLECULAR WEIGHT: 312.3663
SMILES: CC(=O)NC(=O)/C(=C/N1CCN(CC1)CC2=CC=CC=C2)/C#N
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Product OPENEYE NAME: (E)-N-acetyl-2-cyano-3-morpholino-prop-2-enamide
CAS Name: (E)-N-acetyl-2-cyano-3-(4-morpholinyl)-2-propenamide
IUPAC NAME: (E)-N-acetyl-2-cyano-3-morpholin-4-ylprop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-N-ethanoyl-3-morpholin-4-yl-prop-2-enamide
MOLECULAR FORMULA: C10H13N3O3
MOLECULAR WEIGHT: 223.22852
SMILES: CC(=O)NC(=O)/C(=C/N1CCOCC1)/C#N
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Product OPENEYE NAME: (E)-N-acetyl-2-cyano-3-(4-phenylpiperazin-1-yl)prop-2-enamide
CAS Name: (E)-N-acetyl-2-cyano-3-(4-phenyl-1-piperazinyl)-2-propenamide
IUPAC NAME: (E)-N-acetyl-2-cyano-3-(4-phenylpiperazin-1-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-N-ethanoyl-3-(4-phenylpiperazin-1-yl)prop-2-enamide
MOLECULAR FORMULA: C16H18N4O2
MOLECULAR WEIGHT: 298.33972
SMILES: CC(=O)NC(=O)/C(=C/N1CCN(CC1)C2=CC=CC=C2)/C#N
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Product OPENEYE NAME: (E)-N-acetyl-2-cyano-3-(4-methoxyanilino)prop-2-enamide
CAS Name: (E)-N-acetyl-2-cyano-3-(4-methoxyanilino)-2-propenamide
IUPAC NAME: (E)-N-acetyl-2-cyano-3-(4-methoxyanilino)prop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-N-ethanoyl-3-[(4-methoxyphenyl)amino]prop-2-enamide
MOLECULAR FORMULA: C13H13N3O3
MOLECULAR WEIGHT: 259.26062
SMILES: CC(=O)NC(=O)/C(=C/NC1=CC=C(C=C1)OC)/C#N
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Product OPENEYE NAME: N'-(benzenesulfonyl)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetohydrazide
CAS Name: N'-(benzenesulfonyl)-2-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]acetohydrazide
IUPAC NAME: N'-(benzenesulfonyl)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetohydrazide
SYSTEMATIC NAME: N'-(phenylsulfonyl)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethanehydrazide
MOLECULAR FORMULA: C14H12N6O4S
MOLECULAR WEIGHT: 360.34788
SMILES: C1=CC=C(C=C1)S(=O)(=O)NNC(=O)CC2=NC(=NO2)C3=NC=CN=C3
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-[[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetyl]amino]urea
CAS Name: 1-(4-chlorophenyl)-3-[[1-oxo-2-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]urea
IUPAC NAME: 1-(4-chlorophenyl)-3-[[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetyl]amino]urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethanoylamino]urea
MOLECULAR FORMULA: C15H12ClN7O3
MOLECULAR WEIGHT: 373.75388
SMILES: C1=CC(=CC=C1NC(=O)NNC(=O)CC2=NC(=NO2)C3=NC=CN=C3)Cl
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Product OPENEYE NAME: 4-methyl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-thione
CAS Name: 4-methyl-3-[[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-methyl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-methyl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C10H9N7OS
MOLECULAR WEIGHT: 275.28976
SMILES: CN1C(=NNC1=S)CC2=NC(=NO2)C3=NC=CN=C3
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Product OPENEYE NAME: 1-(3,5-dichlorophenyl)-3-[[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetyl]amino]urea
CAS Name: 1-(3,5-dichlorophenyl)-3-[[1-oxo-2-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]urea
IUPAC NAME: 1-(3,5-dichlorophenyl)-3-[[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetyl]amino]urea
SYSTEMATIC NAME: 1-[3,5-bis(chloranyl)phenyl]-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethanoylamino]urea
MOLECULAR FORMULA: C15H11Cl2N7O3
MOLECULAR WEIGHT: 408.19894
SMILES: C1=CN=C(C=N1)C2=NOC(=N2)CC(=O)NNC(=O)NC3=CC(=CC(=C3)Cl)Cl
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Product OPENEYE NAME: 1-[[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
CAS Name: 1-[[1-oxo-2-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-[[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethanoylamino]-3-[4-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C16H12F3N7O4
MOLECULAR WEIGHT: 423.30619
SMILES: C1=CC(=CC=C1NC(=O)NNC(=O)CC2=NC(=NO2)C3=NC=CN=C3)OC(F)(F)F
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Product OPENEYE NAME: 4-[(4-chlorophenyl)sulfanylmethyl]-2H-phthalazin-1-one
CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-2H-phthalazin-1-one
IUPAC NAME: 4-[(4-chlorophenyl)sulfanylmethyl]-2H-phthalazin-1-one
SYSTEMATIC NAME: 4-[(4-chlorophenyl)sulfanylmethyl]-2H-phthalazin-1-one
MOLECULAR FORMULA: C15H11ClN2OS
MOLECULAR WEIGHT: 302.77864
SMILES: C1=CC=C2C(=C1)C(=NNC2=O)CSC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 4-(2-pyridylsulfanylmethyl)-2H-phthalazin-1-one
CAS Name: 4-[(2-pyridinylthio)methyl]-2H-phthalazin-1-one
IUPAC NAME: 4-(pyridin-2-ylsulfanylmethyl)-2H-phthalazin-1-one
SYSTEMATIC NAME: 4-(pyridin-2-ylsulfanylmethyl)-2H-phthalazin-1-one
MOLECULAR FORMULA: C14H11N3OS
MOLECULAR WEIGHT: 269.32164
SMILES: C1=CC=C2C(=C1)C(=NNC2=O)CSC3=CC=CC=N3
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Product OPENEYE NAME: 2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide
CAS Name: 2-[[4-methyl-5-[[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,4-triazol-3-yl]thio]-N-phenylacetamide
IUPAC NAME: 2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C18H16N8O2S
MOLECULAR WEIGHT: 408.43704
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC3=NC(=NO3)C4=NC=CN=C4
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Product OPENEYE NAME: 1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea
CAS Name: 1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea
IUPAC NAME: 1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea
SYSTEMATIC NAME: 1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea
MOLECULAR FORMULA: C16H14N4O
MOLECULAR WEIGHT: 278.30856
SMILES: C1=CC=C(C=C1)C2=CC(=NN2)NC(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2H-phthalazin-1-one
CAS Name: 4-[[(1-methyl-2-imidazolyl)thio]methyl]-2H-phthalazin-1-one
IUPAC NAME: 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2H-phthalazin-1-one
SYSTEMATIC NAME: 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2H-phthalazin-1-one
MOLECULAR FORMULA: C13H12N4OS
MOLECULAR WEIGHT: 272.32558
SMILES: CN1C=CN=C1SCC2=NNC(=O)C3=CC=CC=C32
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Product OPENEYE NAME: methyl 2-[(4-oxo-3H-phthalazin-1-yl)methylsulfanyl]acetate
CAS Name: 2-[(4-oxo-3H-phthalazin-1-yl)methylthio]acetic acid methyl ester
IUPAC NAME: methyl 2-[(4-oxo-3H-phthalazin-1-yl)methylsulfanyl]acetate
SYSTEMATIC NAME: methyl 2-[(4-oxidanylidene-3H-phthalazin-1-yl)methylsulfanyl]ethanoate
MOLECULAR FORMULA: C12H12N2O3S
MOLECULAR WEIGHT: 264.30028
SMILES: COC(=O)CSCC1=NNC(=O)C2=CC=CC=C21
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Product OPENEYE NAME: 5-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CAS Name: 5-[[5-[(4-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-pyrazinyl)-1,2,4-oxadiazole
IUPAC NAME: 5-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
MOLECULAR FORMULA: C17H14ClN7OS
MOLECULAR WEIGHT: 399.85736
SMILES: CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CC3=NC(=NO3)C4=NC=CN=C4
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Product OPENEYE NAME: N-(4-chlorophenyl)-2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(4-chlorophenyl)-2-[[4-methyl-5-[[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(4-chlorophenyl)-2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C18H15ClN8O2S
MOLECULAR WEIGHT: 442.8821
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)CC3=NC(=NO3)C4=NC=CN=C4
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Product OPENEYE NAME: N-(4-methoxyphenyl)-2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(4-methoxyphenyl)-2-[[4-methyl-5-[[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(4-methoxyphenyl)-2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C19H18N8O3S
MOLECULAR WEIGHT: 438.46302
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CC3=NC(=NO3)C4=NC=CN=C4
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Product OPENEYE NAME: 1-phenyl-3-[[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetyl]amino]urea
CAS Name: 1-[[1-oxo-2-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-phenylurea
IUPAC NAME: 1-phenyl-3-[[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetyl]amino]urea
SYSTEMATIC NAME: 1-phenyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethanoylamino]urea
MOLECULAR FORMULA: C15H13N7O3
MOLECULAR WEIGHT: 339.30882
SMILES: C1=CC=C(C=C1)NC(=O)NNC(=O)CC2=NC(=NO2)C3=NC=CN=C3
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