Tuesday, December 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-(cyclopropylmethyl)-6-pyrazol-1-yl-pyridine-3-carboxamide
CAS Name: N-(cyclopropylmethyl)-6-(1-pyrazolyl)-3-pyridinecarboxamide
IUPAC NAME: N-(cyclopropylmethyl)-6-pyrazol-1-ylpyridine-3-carboxamide
SYSTEMATIC NAME: N-(cyclopropylmethyl)-6-pyrazol-1-yl-pyridine-3-carboxamide
MOLECULAR FORMULA: C13H14N4O
MOLECULAR WEIGHT: 242.27646
SMILES: C1CC1CNC(=O)C2=CN=C(C=C2)N3C=CC=N3
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Product OPENEYE NAME: N-(cyclopropylmethyl)-6-methyl-1-(2-thienylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: N-(cyclopropylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N-(cyclopropylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: N-(cyclopropylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C17H18N4OS
MOLECULAR WEIGHT: 326.41602
SMILES: CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)NCC4CC4
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Product OPENEYE NAME: N-[4-(5-carbamoyl-1H-pyrrol-3-yl)thiazol-2-yl]-6-methyl-1-(2-thienylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-2-thiazolyl]-6-methyl-1-(thiophen-2-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[4-(5-aminocarbonyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C21H17N7O2S2
MOLECULAR WEIGHT: 463.53538
SMILES: CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)NC4=NC(=CS4)C5=CNC(=C5)C(=O)N
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Product OPENEYE NAME: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-ethoxyphenyl)prop-2-en-1-one
CAS Name: (E)-1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(2-ethoxyphenyl)-2-propen-1-one
IUPAC NAME: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-ethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-ethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C21H31N3O4S
MOLECULAR WEIGHT: 421.55354
SMILES: CCOC1=CC=CC=C1/C=C/C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3
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Product OPENEYE NAME: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-methylthiazol-4-yl)prop-2-en-1-one
CAS Name: (E)-1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(2-methyl-4-thiazolyl)-2-propen-1-one
IUPAC NAME: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
MOLECULAR FORMULA: C17H26N4O3S2
MOLECULAR WEIGHT: 398.54334
SMILES: CC1=NC(=CS1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3
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Product OPENEYE NAME: N-[3-(2,2-dimethylpropanoylamino)phenyl]-6-methyl-1-(2-thienylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: N-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N-[3-(2,2-dimethylpropanoylamino)phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[3-(2,2-dimethylpropanoylamino)phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C24H25N5O2S
MOLECULAR WEIGHT: 447.5526
SMILES: CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)NC4=CC(=CC=C4)NC(=O)C(C)(C)C
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Product OPENEYE NAME: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(4-bromophenyl)prop-2-en-1-one
CAS Name: (E)-1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(4-bromophenyl)-2-propen-1-one
IUPAC NAME: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(4-bromophenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(4-bromophenyl)prop-2-en-1-one
MOLECULAR FORMULA: C19H26BrN3O3S
MOLECULAR WEIGHT: 456.39704
SMILES: C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 4-[(E)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzonitrile
CAS Name: 4-[(E)-3-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-oxoprop-1-enyl]benzonitrile
IUPAC NAME: 4-[(E)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzonitrile
SYSTEMATIC NAME: 4-[(E)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile
MOLECULAR FORMULA: C20H26N4O3S
MOLECULAR WEIGHT: 402.51044
SMILES: C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)C#N
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Product OPENEYE NAME: 2-[(E)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzonitrile
CAS Name: 2-[(E)-3-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-oxoprop-1-enyl]benzonitrile
IUPAC NAME: 2-[(E)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzonitrile
SYSTEMATIC NAME: 2-[(E)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile
MOLECULAR FORMULA: C20H26N4O3S
MOLECULAR WEIGHT: 402.51044
SMILES: C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3C#N
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Product OPENEYE NAME: (E)-N-[2-(isopropylamino)-2-oxo-ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methyl-prop-2-enamide
CAS Name: (E)-3-[4-(methanesulfonamido)phenyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-propenamide
IUPAC NAME: (E)-3-[4-(methanesulfonamido)phenyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-methyl-3-[4-(methylsulfonylamino)phenyl]-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]prop-2-enamide
MOLECULAR FORMULA: C16H23N3O4S
MOLECULAR WEIGHT: 353.43652
SMILES: CC(C)NC(=O)CN(C)C(=O)/C=C/C1=CC=C(C=C1)NS(=O)(=O)C
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Product OPENEYE NAME: N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-2-cyclopropyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C24H27ClN4OS
MOLECULAR WEIGHT: 455.01538
SMILES: CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)NC4CCN(CC4)CC5=CC=C(C=C5)Cl
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Product OPENEYE NAME: 1-cyclohexyl-3-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-butyl]urea
CAS Name: 1-cyclohexyl-3-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]urea
IUPAC NAME: 1-cyclohexyl-3-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]urea
SYSTEMATIC NAME: 1-cyclohexyl-3-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxidanylidene-butyl]urea
MOLECULAR FORMULA: C20H31N3O2S
MOLECULAR WEIGHT: 377.54404
SMILES: CCC1C2=C(CCN1C(=O)CCCNC(=O)NC3CCCCC3)SC=C2
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Product OPENEYE NAME: N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methyl-1-(2-thienylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methyl-1-(thiophen-2-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[4-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C22H21N5O3S2
MOLECULAR WEIGHT: 467.56384
SMILES: CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)NC4=CC=C(C=C4)N5CCCS5(=O)=O
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Product OPENEYE NAME: 2-cyclopropyl-4,5-dimethyl-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: 2-cyclopropyl-4,5-dimethyl-N-[4-(methylthio)phenyl]-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: 2-cyclopropyl-4,5-dimethyl-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 2-cyclopropyl-4,5-dimethyl-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C19H19N3OS2
MOLECULAR WEIGHT: 369.50366
SMILES: CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)NC4=CC=C(C=C4)SC
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Product OPENEYE NAME: N-[(2,4-difluorophenyl)methyl]-N,6-dimethyl-1-(2-thienylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: N-[(2,4-difluorophenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N-[(2,4-difluorophenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[[2,4-bis(fluoranyl)phenyl]methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C21H18F2N4OS
MOLECULAR WEIGHT: 412.455626
SMILES: CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)N(C)CC4=C(C=C(C=C4)F)F
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Product OPENEYE NAME: N-[1-(cyclopropanecarbonyl)-4-piperidyl]-6-methyl-1-(2-thienylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: N-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-6-methyl-1-(thiophen-2-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: N-(1-cyclopropylcarbonylpiperidin-4-yl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C22H25N5O2S
MOLECULAR WEIGHT: 423.5312
SMILES: CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)NC4CCN(CC4)C(=O)C5CC5
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Product OPENEYE NAME: 2-cyclopropyl-N,4,5-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: 2-cyclopropyl-N,4,5-trimethyl-N-[(1-phenyl-4-pyrazolyl)methyl]-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: 2-cyclopropyl-N,4,5-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 2-cyclopropyl-N,4,5-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C23H23N5OS
MOLECULAR WEIGHT: 417.52662
SMILES: CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)N(C)CC4=CN(N=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-(p-tolyl)-1,2,4-oxadiazole
CAS Name: 3-[[5-(3-fluorophenyl)-2-tetrazolyl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
IUPAC NAME: 3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-[[5-(3-fluorophenyl)-1,2,3,4-tetrazol-2-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C17H13FN6O
MOLECULAR WEIGHT: 336.323123
SMILES: CC1=CC=C(C=C1)C2=NC(=NO2)CN3N=C(N=N3)C4=CC(=CC=C4)F
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