Friday, May 3, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
CAS Name: N-[2-(ethylsulfonylamino)ethyl]-2-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide
IUPAC NAME: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
SYSTEMATIC NAME: N-[2-(ethylsulfonylamino)ethyl]-2-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide
MOLECULAR FORMULA: C21H28N6O6S
MOLECULAR WEIGHT: 492.54862
SMILES: CCS(=O)(=O)NCCNC(=O)CN1C(=O)C2=C(N=CN2CCOC)N(C1=O)CC3=CC=CC=C3
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Product OPENEYE NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]butanamide
CAS Name: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]butanamide
IUPAC NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]butanamide
SYSTEMATIC NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]butanamide
MOLECULAR FORMULA: C22H34N4O2
MOLECULAR WEIGHT: 386.53096
SMILES: CCN(CC)CC1=CC=CC=C1CNC(=O)CCCC2=NC(=NO2)C(C)(C)C
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Product OPENEYE NAME: 4-methyl-2-(5-methyl-2-furyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiazole-5-carboxamide
CAS Name: 4-methyl-2-(5-methyl-2-furanyl)-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-5-thiazolecarboxamide
IUPAC NAME: 4-methyl-2-(5-methylfuran-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: 4-methyl-2-(5-methylfuran-2-yl)-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C21H21N3O3S
MOLECULAR WEIGHT: 395.47474
SMILES: CC1=CC=C(O1)C2=NC(=C(S2)C(=O)NCC3=CC=C(C=C3)N4CCCC4=O)C
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Product OPENEYE NAME: N-[2-(ethylsulfonylamino)ethyl]-1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: N-[2-(ethylsulfonylamino)ethyl]-1-propan-2-yl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N-[2-(ethylsulfonylamino)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[2-(ethylsulfonylamino)ethyl]-1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C18H23N5O3S2
MOLECULAR WEIGHT: 421.53692
SMILES: CCS(=O)(=O)NCCNC(=O)C1=CC(=NC2=C1C=NN2C(C)C)C3=CC=CS3
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Product OPENEYE NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CAS Name: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]acetamide
IUPAC NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
SYSTEMATIC NAME: 2-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]ethanamide
MOLECULAR FORMULA: C19H22N4O3
MOLECULAR WEIGHT: 354.40298
SMILES: CC1=C(C(=O)N=C(N1)C)CC(=O)NCC2=CC=C(C=C2)N3CCCC3=O
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Product OPENEYE NAME: 3-amino-N-[2-(ethylsulfonylamino)ethyl]pyrazine-2-carboxamide
CAS Name: 3-amino-N-[2-(ethylsulfonylamino)ethyl]-2-pyrazinecarboxamide
IUPAC NAME: 3-amino-N-[2-(ethylsulfonylamino)ethyl]pyrazine-2-carboxamide
SYSTEMATIC NAME: 3-azanyl-N-[2-(ethylsulfonylamino)ethyl]pyrazine-2-carboxamide
MOLECULAR FORMULA: C9H15N5O3S
MOLECULAR WEIGHT: 273.3121
SMILES: CCS(=O)(=O)NCCNC(=O)C1=NC=CN=C1N
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Product OPENEYE NAME: N-[2-(ethylsulfonylamino)ethyl]-2,6-dimethyl-quinoline-3-carboxamide
CAS Name: N-[2-(ethylsulfonylamino)ethyl]-2,6-dimethyl-3-quinolinecarboxamide
IUPAC NAME: N-[2-(ethylsulfonylamino)ethyl]-2,6-dimethylquinoline-3-carboxamide
SYSTEMATIC NAME: N-[2-(ethylsulfonylamino)ethyl]-2,6-dimethyl-quinoline-3-carboxamide
MOLECULAR FORMULA: C16H21N3O3S
MOLECULAR WEIGHT: 335.42124
SMILES: CCS(=O)(=O)NCCNC(=O)C1=C(N=C2C=CC(=CC2=C1)C)C
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Product OPENEYE NAME: ethyl N-[3-[2-(4-fluorophenoxy)ethyl-methyl-amino]-3-oxo-propyl]carbamate
CAS Name: N-[3-[2-(4-fluorophenoxy)ethyl-methylamino]-3-oxopropyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[3-[2-(4-fluorophenoxy)ethyl-methylamino]-3-oxopropyl]carbamate
SYSTEMATIC NAME: ethyl N-[3-[2-(4-fluoranylphenoxy)ethyl-methyl-amino]-3-oxidanylidene-propyl]carbamate
MOLECULAR FORMULA: C15H21FN2O4
MOLECULAR WEIGHT: 312.336643
SMILES: CCOC(=O)NCCC(=O)N(C)CCOC1=CC=C(C=C1)F
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Product OPENEYE NAME: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(3-nitrophenyl)pyrazole-3-carboxamide
CAS Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(3-nitrophenyl)-3-pyrazolecarboxamide
IUPAC NAME: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(3-nitrophenyl)pyrazole-3-carboxamide
SYSTEMATIC NAME: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(3-nitrophenyl)pyrazole-3-carboxamide
MOLECULAR FORMULA: C21H22N4O4
MOLECULAR WEIGHT: 394.42378
SMILES: CC1=CC(=CC(=C1)OCCN(C)C(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])C
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Product OPENEYE NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(2-morpholinophenyl)methyl]acetamide
CAS Name: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[[2-(4-morpholinyl)phenyl]methyl]acetamide
IUPAC NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
SYSTEMATIC NAME: 2-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamide
MOLECULAR FORMULA: C20H26N4O3
MOLECULAR WEIGHT: 370.44544
SMILES: CC1=C(C(=O)N=C(N1)C)CC(=O)N(C)CC2=CC=CC=C2N3CCOCC3
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Product OPENEYE NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(4-morpholinophenyl)methyl]acetamide
CAS Name: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[[4-(4-morpholinyl)phenyl]methyl]acetamide
IUPAC NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SYSTEMATIC NAME: 2-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamide
MOLECULAR FORMULA: C20H26N4O3
MOLECULAR WEIGHT: 370.44544
SMILES: CC1=C(C(=O)N=C(N1)C)CC(=O)N(C)CC2=CC=C(C=C2)N3CCOCC3
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Product OPENEYE NAME: [(1R)-2-[[(4R)-chroman-4-yl]amino]-1-methyl-2-oxo-ethyl] 3-(allylsulfamoyl)-4-fluoro-benzoate
CAS Name: 4-fluoro-3-(prop-2-enylsulfamoyl)benzoic acid [(2R)-1-[[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 4-fluoro-3-(prop-2-enylsulfamoyl)benzoate
SYSTEMATIC NAME: [(2R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-(prop-2-enylsulfamoyl)benzoate
MOLECULAR FORMULA: C22H23FN2O6S
MOLECULAR WEIGHT: 462.491223
SMILES: C[C@H](C(=O)N[C@@H]1CCOC2=CC=CC=C12)OC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)NCC=C
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Product OPENEYE NAME: [(1S)-2-[[(4R)-chroman-4-yl]amino]-1-methyl-2-oxo-ethyl] 3-(allylsulfamoyl)-4-fluoro-benzoate
CAS Name: 4-fluoro-3-(prop-2-enylsulfamoyl)benzoic acid [(2S)-1-[[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 4-fluoro-3-(prop-2-enylsulfamoyl)benzoate
SYSTEMATIC NAME: [(2S)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-(prop-2-enylsulfamoyl)benzoate
MOLECULAR FORMULA: C22H23FN2O6S
MOLECULAR WEIGHT: 462.491223
SMILES: C[C@@H](C(=O)N[C@@H]1CCOC2=CC=CC=C12)OC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)NCC=C
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Product OPENEYE NAME: [(1R)-2-[[(4S)-chroman-4-yl]amino]-1-methyl-2-oxo-ethyl] 3-(allylsulfamoyl)-4-fluoro-benzoate
CAS Name: 4-fluoro-3-(prop-2-enylsulfamoyl)benzoic acid [(2R)-1-[[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 4-fluoro-3-(prop-2-enylsulfamoyl)benzoate
SYSTEMATIC NAME: [(2R)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-(prop-2-enylsulfamoyl)benzoate
MOLECULAR FORMULA: C22H23FN2O6S
MOLECULAR WEIGHT: 462.491223
SMILES: C[C@H](C(=O)N[C@H]1CCOC2=CC=CC=C12)OC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)NCC=C
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Product OPENEYE NAME: [(1S)-2-[[(4S)-chroman-4-yl]amino]-1-methyl-2-oxo-ethyl] 3-(allylsulfamoyl)-4-fluoro-benzoate
CAS Name: 4-fluoro-3-(prop-2-enylsulfamoyl)benzoic acid [(2S)-1-[[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 4-fluoro-3-(prop-2-enylsulfamoyl)benzoate
SYSTEMATIC NAME: [(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-(prop-2-enylsulfamoyl)benzoate
MOLECULAR FORMULA: C22H23FN2O6S
MOLECULAR WEIGHT: 462.491223
SMILES: C[C@@H](C(=O)N[C@H]1CCOC2=CC=CC=C12)OC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)NCC=C
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Product OPENEYE NAME: N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1-(3-nitrophenyl)pyrazole-3-carboxamide
CAS Name: N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1-(3-nitrophenyl)-3-pyrazolecarboxamide
IUPAC NAME: N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1-(3-nitrophenyl)pyrazole-3-carboxamide
SYSTEMATIC NAME: N-[2-(2-fluoranylphenoxy)ethyl]-N-methyl-1-(3-nitrophenyl)pyrazole-3-carboxamide
MOLECULAR FORMULA: C19H17FN4O4
MOLECULAR WEIGHT: 384.361083
SMILES: CN(CCOC1=CC=CC=C1F)C(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl N-[3-[2-(2-fluorophenoxy)ethyl-methyl-amino]-3-oxo-propyl]carbamate
CAS Name: N-[3-[2-(2-fluorophenoxy)ethyl-methylamino]-3-oxopropyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[3-[2-(2-fluorophenoxy)ethyl-methylamino]-3-oxopropyl]carbamate
SYSTEMATIC NAME: ethyl N-[3-[2-(2-fluoranylphenoxy)ethyl-methyl-amino]-3-oxidanylidene-propyl]carbamate
MOLECULAR FORMULA: C15H21FN2O4
MOLECULAR WEIGHT: 312.336643
SMILES: CCOC(=O)NCCC(=O)N(C)CCOC1=CC=CC=C1F
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Product OPENEYE NAME: N-[2-(ethylsulfonylamino)ethyl]furan-3-carboxamide
CAS Name: N-[2-(ethylsulfonylamino)ethyl]-3-furancarboxamide
IUPAC NAME: N-[2-(ethylsulfonylamino)ethyl]furan-3-carboxamide
SYSTEMATIC NAME: N-[2-(ethylsulfonylamino)ethyl]furan-3-carboxamide
MOLECULAR FORMULA: C9H14N2O4S
MOLECULAR WEIGHT: 246.28346
SMILES: CCS(=O)(=O)NCCNC(=O)C1=COC=C1
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