Wednesday, January 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 3-methyl-6-(4-morpholinophenyl)isoxazolo[5,4-b]pyridine-4-carboxylic acid
CAS Name: 3-methyl-6-[4-(4-morpholinyl)phenyl]-4-isoxazolo[5,4-b]pyridinecarboxylic acid
IUPAC NAME: 3-methyl-6-(4-morpholin-4-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SYSTEMATIC NAME: 3-methyl-6-(4-morpholin-4-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
MOLECULAR FORMULA: C18H17N3O4
MOLECULAR WEIGHT: 339.34528
SMILES: CC1=NOC2=C1C(=CC(=N2)C3=CC=C(C=C3)N4CCOCC4)C(=O)O
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Product OPENEYE NAME: N-(3-acetamido-4-methoxy-phenyl)sulfonyl-3,3-dimethyl-butanamide
CAS Name: N-(3-acetamido-4-methoxyphenyl)sulfonyl-3,3-dimethylbutanamide
IUPAC NAME: N-(3-acetamido-4-methoxyphenyl)sulfonyl-3,3-dimethylbutanamide
SYSTEMATIC NAME: N-(3-acetamido-4-methoxy-phenyl)sulfonyl-3,3-dimethyl-butanamide
MOLECULAR FORMULA: C15H22N2O5S
MOLECULAR WEIGHT: 342.41058
SMILES: CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC(=O)CC(C)(C)C)OC
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Product OPENEYE NAME: N-[(4-chlorophenyl)methyl]-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide
CAS Name: N-[(4-chlorophenyl)methyl]-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide
IUPAC NAME: N-[(4-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C14H12ClN3O2S
MOLECULAR WEIGHT: 321.78198
SMILES: C1CSC2=NC=C(C(=O)N21)C(=O)NCC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 5-oxo-N-tetralin-5-yl-thiazolo[3,2-a]pyrimidine-6-carboxamide
CAS Name: 5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-6-thiazolo[3,2-a]pyrimidinecarboxamide
IUPAC NAME: 5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 5-oxidanylidene-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C17H15N3O2S
MOLECULAR WEIGHT: 325.3849
SMILES: C1CCC2=C(C1)C=CC=C2NC(=O)C3=CN=C4N(C3=O)C=CS4
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Product OPENEYE NAME: N-[2-(difluoromethoxy)phenyl]-5-oxo-thiazolo[3,2-a]pyrimidine-6-carboxamide
CAS Name: N-[2-(difluoromethoxy)phenyl]-5-oxo-6-thiazolo[3,2-a]pyrimidinecarboxamide
IUPAC NAME: N-[2-(difluoromethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-[2-[bis(fluoranyl)methoxy]phenyl]-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C14H9F2N3O3S
MOLECULAR WEIGHT: 337.301366
SMILES: C1=CC=C(C(=C1)NC(=O)C2=CN=C3N(C2=O)C=CS3)OC(F)F
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Product OPENEYE NAME: N-(1,2-dimethylpropyl)-5-oxo-thiazolo[3,2-a]pyrimidine-6-carboxamide
CAS Name: N-(3-methylbutan-2-yl)-5-oxo-6-thiazolo[3,2-a]pyrimidinecarboxamide
IUPAC NAME: N-(3-methylbutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-(3-methylbutan-2-yl)-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C12H15N3O2S
MOLECULAR WEIGHT: 265.3314
SMILES: CC(C)C(C)NC(=O)C1=CN=C2N(C1=O)C=CS2
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Product OPENEYE NAME: N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-thiazolo[3,2-a]pyrimidine-6-carboxamide
CAS Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-6-thiazolo[3,2-a]pyrimidinecarboxamide
IUPAC NAME: N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C10H7N5O2S2
MOLECULAR WEIGHT: 293.32488
SMILES: CC1=NN=C(S1)NC(=O)C2=CN=C3N(C2=O)C=CS3
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Product OPENEYE NAME: N-(3-methyl-1,1-dioxo-thiolan-3-yl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide
CAS Name: N-(3-methyl-1,1-dioxo-3-thiolanyl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide
IUPAC NAME: N-(3-methyl-1,1-dioxothiolan-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C12H15N3O4S2
MOLECULAR WEIGHT: 329.3952
SMILES: CC1(CCS(=O)(=O)C1)NC(=O)C2=CN=C3N(C2=O)CCS3
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Product OPENEYE NAME: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-oxo-thiazolo[3,2-a]pyrimidine-6-carboxamide
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-oxo-6-thiazolo[3,2-a]pyrimidinecarboxamide
IUPAC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C16H13N3O4S
MOLECULAR WEIGHT: 343.35712
SMILES: C1COC2=C(O1)C=CC(=C2)CNC(=O)C3=CN=C4N(C3=O)C=CS4
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Product OPENEYE NAME: N-bis[(E)-2-chloro-2-phenyl-vinyl]phosphoryl-N-methyl-cyclohexanamine
CAS Name: N-bis[(E)-2-chloro-2-phenylethenyl]phosphoryl-N-methylcyclohexanamine
IUPAC NAME: N-bis[(E)-2-chloro-2-phenylethenyl]phosphoryl-N-methylcyclohexanamine
SYSTEMATIC NAME: N-bis[(E)-2-chloranyl-2-phenyl-ethenyl]phosphoryl-N-methyl-cyclohexanamine
MOLECULAR FORMULA: C23H26Cl2NOP
MOLECULAR WEIGHT: 434.338401
SMILES: CN(P(=O)(/C=C(/Cl)\C1=CC=CC=C1)/C=C(/Cl)\C2=CC=CC=C2)C3CCCCC3
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Product OPENEYE NAME: 1-(2,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine hydrochloride
CAS Name: 1-(2,4-dimethoxyphenyl)-2-(4,6-dimethyl-2-pyrimidinyl)guanidine hydrochloride
IUPAC NAME: 1-(2,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine hydrochloride
SYSTEMATIC NAME: 1-(2,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine hydrochloride
MOLECULAR FORMULA: C15H20ClN5O2
MOLECULAR WEIGHT: 337.8046
SMILES: CC1=CC(=NC(=N1)/N=C(\N)/NC2=C(C=C(C=C2)OC)OC)C.Cl
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Product OPENEYE NAME: 3,4-dimethyl-N-(3-pyridylmethyl)aniline hydrochloride
CAS Name: 3,4-dimethyl-N-(3-pyridinylmethyl)aniline hydrochloride
IUPAC NAME: 3,4-dimethyl-N-(pyridin-3-ylmethyl)aniline hydrochloride
SYSTEMATIC NAME: 3,4-dimethyl-N-(pyridin-3-ylmethyl)aniline hydrochloride
MOLECULAR FORMULA: C14H17ClN2
MOLECULAR WEIGHT: 248.75118
SMILES: CC1=C(C=C(C=C1)NCC2=CN=CC=C2)C.Cl
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Product OPENEYE NAME: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-ethyl-piperazine
CAS Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-ethylpiperazine
IUPAC NAME: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-ethylpiperazine
SYSTEMATIC NAME: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-ethyl-piperazine
MOLECULAR FORMULA: C16H26N2O
MOLECULAR WEIGHT: 262.39044
SMILES: CCN1CCN(CC1)CCOC2=CC(=CC(=C2)C)C
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Product OPENEYE NAME: N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CAS Name: N-[3-[[2-(diethylamino)ethylamino]-oxomethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C18H23N3O3
MOLECULAR WEIGHT: 329.39352
SMILES: CCN(CC)CCNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CO2
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Product OPENEYE NAME: 1-(1-adamantyl)imidazole hydrochloride
CAS Name: 1-(1-adamantyl)imidazole hydrochloride
IUPAC NAME: 1-(1-adamantyl)imidazole hydrochloride
SYSTEMATIC NAME: 1-(1-adamantyl)imidazole hydrochloride
MOLECULAR FORMULA: C13H19ClN2
MOLECULAR WEIGHT: 238.75636
SMILES: C1C2CC3CC1CC(C2)(C3)N4C=CN=C4.Cl
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Product OPENEYE NAME: 1-ethyl-4-[3-(4-fluorophenoxy)propyl]piperazine
CAS Name: 1-ethyl-4-[3-(4-fluorophenoxy)propyl]piperazine
IUPAC NAME: 1-ethyl-4-[3-(4-fluorophenoxy)propyl]piperazine
SYSTEMATIC NAME: 1-ethyl-4-[3-(4-fluoranylphenoxy)propyl]piperazine
MOLECULAR FORMULA: C15H23FN2O
MOLECULAR WEIGHT: 266.354323
SMILES: CCN1CCN(CC1)CCCOC2=CC=C(C=C2)F
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Product OPENEYE NAME: 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone
CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-1-[4-[(2-hydroxyphenyl)-oxomethyl]-1-pyrazolyl]ethanone
IUPAC NAME: 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone
SYSTEMATIC NAME: 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-hydroxyphenyl)carbonylpyrazol-1-yl]ethanone
MOLECULAR FORMULA: C17H16N4O3
MOLECULAR WEIGHT: 324.33394
SMILES: CC1=CC(=NN1CC(=O)N2C=C(C=N2)C(=O)C3=CC=CC=C3O)C
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Product OPENEYE NAME: 6-methyl-1-(2-thienylmethyl)-2H-pyrazolo[3,4-b]pyridin-4-one
CAS Name: 6-methyl-1-(thiophen-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridin-4-one
IUPAC NAME: 6-methyl-1-(thiophen-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridin-4-one
SYSTEMATIC NAME: 6-methyl-1-(thiophen-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridin-4-one
MOLECULAR FORMULA: C12H11N3OS
MOLECULAR WEIGHT: 245.30024
SMILES: CC1=CC(=O)C2=CNN(C2=N1)CC3=CC=CS3
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Product OPENEYE NAME: 1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-2H-pyrazolo[3,4-b]pyridin-4-one
CAS Name: 1-(1,1-dioxo-3-thiolanyl)-3-methyl-6-propyl-2H-pyrazolo[3,4-b]pyridin-4-one
IUPAC NAME: 1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-2H-pyrazolo[3,4-b]pyridin-4-one
SYSTEMATIC NAME: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-methyl-6-propyl-2H-pyrazolo[3,4-b]pyridin-4-one
MOLECULAR FORMULA: C14H19N3O3S
MOLECULAR WEIGHT: 309.38396
SMILES: CCCC1=CC(=O)C2=C(NN(C2=N1)C3CCS(=O)(=O)C3)C
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Product OPENEYE NAME: 2-ethoxy-N-methyl-N-phenyl-pyridine-3-carboxamide
CAS Name: 2-ethoxy-N-methyl-N-phenyl-3-pyridinecarboxamide
IUPAC NAME: 2-ethoxy-N-methyl-N-phenylpyridine-3-carboxamide
SYSTEMATIC NAME: 2-ethoxy-N-methyl-N-phenyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C15H16N2O2
MOLECULAR WEIGHT: 256.29974
SMILES: CCOC1=C(C=CC=N1)C(=O)N(C)C2=CC=CC=C2
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Product OPENEYE NAME: N-methyl-9-oxo-N-phenyl-bicyclo[3.3.1]nonane-3-carboxamide
CAS Name: N-methyl-9-oxo-N-phenyl-3-bicyclo[3.3.1]nonanecarboxamide
IUPAC NAME: N-methyl-9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
SYSTEMATIC NAME: N-methyl-9-oxidanylidene-N-phenyl-bicyclo[3.3.1]nonane-3-carboxamide
MOLECULAR FORMULA: C17H21NO2
MOLECULAR WEIGHT: 271.35414
SMILES: CN(C1=CC=CC=C1)C(=O)C2CC3CCCC(C2)C3=O
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Product OPENEYE NAME: N-ethyl-2-methyl-N-phenyl-cyclopropanecarboxamide
CAS Name: N-ethyl-2-methyl-N-phenyl-1-cyclopropanecarboxamide
IUPAC NAME: N-ethyl-2-methyl-N-phenylcyclopropane-1-carboxamide
SYSTEMATIC NAME: N-ethyl-2-methyl-N-phenyl-cyclopropane-1-carboxamide
MOLECULAR FORMULA: C13H17NO
MOLECULAR WEIGHT: 203.28018
SMILES: CCN(C1=CC=CC=C1)C(=O)C2CC2C
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