Thursday, January 26, 2012

http://ChemLookup.com Compounds




CAS RN: 154619-56-4
CAS Name: N-[8-(4-morpholinyl)octyl]carbamic acid [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] ester
OPENEYE Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(8-morpholinooctyl)carbamate
IUPAC Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(8-morpholin-4-yloctyl)carbamate
SYSTEMATIC NAME: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(8-morpholin-4-yloctyl)carbamate
MOLECULAR FORMULA: C26H42N4O3
MOLECULAR WEIGHT: 458.63668
SMILES: C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NCCCCCCCCN4CCOCC4)C)C
Structure:

CAS RN: 154619-51-9
CAS Name: N-[8-[(2S,6R)-2,6-dimethyl-4-morpholinyl]octyl]carbamic acid [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] ester
OPENEYE Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-[8-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octyl]carbamate
IUPAC Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-[8-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octyl]carbamate
SYSTEMATIC NAME: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-[8-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octyl]carbamate
MOLECULAR FORMULA: C28H46N4O3
MOLECULAR WEIGHT: 486.68984
SMILES: C[C@@H]1CN(C[C@@H](O1)C)CCCCCCCCNC(=O)OC2=CC3=C(C=C2)N([C@@H]4[C@]3(CCN4C)C)C
Structure:

CAS RN: 154496-73-8
CAS Name: 3,5-dimethyl-2-[6-methyl-2-(propan-2-ylthio)-4-pyrimidinyl]-4H-pyrazol-3-ol
OPENEYE Name: 2-(2-isopropylsulfanyl-6-methyl-pyrimidin-4-yl)-3,5-dimethyl-4H-pyrazol-3-ol
IUPAC Name: 3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol
SYSTEMATIC NAME: 3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanyl-pyrimidin-4-yl)-4H-pyrazol-3-ol
MOLECULAR FORMULA: C13H20N4OS
MOLECULAR WEIGHT: 280.3891
SMILES: CC1=NN(C(C1)(C)O)C2=NC(=NC(=C2)C)SC(C)C
Structure:

CAS RN: 154496-72-7
CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-6-methyl-2-(propan-2-ylthio)pyrimidine
OPENEYE Name: 4-(3,5-dimethylpyrazol-1-yl)-2-isopropylsulfanyl-6-methyl-pyrimidine
IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-propan-2-ylsulfanylpyrimidine
SYSTEMATIC NAME: 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-propan-2-ylsulfanyl-pyrimidine
MOLECULAR FORMULA: C13H18N4S
MOLECULAR WEIGHT: 262.37382
SMILES: CC1=CC(=NC(=N1)SC(C)C)N2C(=CC(=N2)C)C
Structure:

CAS RN: 154496-71-6
CAS Name: 5-methyl-2-[6-methyl-2-(propan-2-ylthio)-4-pyrimidinyl]-1H-pyrazol-3-one
OPENEYE Name: 2-(2-isopropylsulfanyl-6-methyl-pyrimidin-4-yl)-5-methyl-1H-pyrazol-3-one
IUPAC Name: 5-methyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrazol-3-one
SYSTEMATIC NAME: 5-methyl-2-(6-methyl-2-propan-2-ylsulfanyl-pyrimidin-4-yl)-1H-pyrazol-3-one
MOLECULAR FORMULA: C12H16N4OS
MOLECULAR WEIGHT: 264.34664
SMILES: CC1=CC(=O)N(N1)C2=NC(=NC(=C2)C)SC(C)C
Structure:

CAS RN: 154496-65-8
CAS Name: 4-methyl-6-(1-piperidinyl)-2-(propan-2-ylthio)pyrimidine
OPENEYE Name: 2-isopropylsulfanyl-4-methyl-6-(1-piperidyl)pyrimidine
IUPAC Name: 4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine
SYSTEMATIC NAME: 4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanyl-pyrimidine
MOLECULAR FORMULA: C13H21N3S
MOLECULAR WEIGHT: 251.39094
SMILES: CC1=CC(=NC(=N1)SC(C)C)N2CCCCC2
Structure:

CAS RN: 154496-64-7
CAS Name: 4-[6-methyl-2-(propan-2-ylthio)-4-pyrimidinyl]morpholine
OPENEYE Name: 4-(2-isopropylsulfanyl-6-methyl-pyrimidin-4-yl)morpholine
IUPAC Name: 4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine
SYSTEMATIC NAME: 4-(6-methyl-2-propan-2-ylsulfanyl-pyrimidin-4-yl)morpholine
MOLECULAR FORMULA: C12H19N3OS
MOLECULAR WEIGHT: 253.36376
SMILES: CC1=CC(=NC(=N1)SC(C)C)N2CCOCC2
Structure:

CAS RN: 154396-73-3
CAS Name: 32-ethyl-14,16,18,20,22,24,26,28-octahydroxy-15,31-dimethyl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
OPENEYE Name: 32-ethyl-14,16,18,20,22,24,26,28-octahydroxy-15,31-dimethyl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
IUPAC Name: 32-ethyl-14,16,18,20,22,24,26,28-octahydroxy-15,31-dimethyl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
SYSTEMATIC NAME: 32-ethyl-15,31-dimethyl-14,16,18,20,22,24,26,28-octakis(oxidanyl)-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
MOLECULAR FORMULA: C35H56O10
MOLECULAR WEIGHT: 636.81314
SMILES: CCC1C(C=CC(CC(CC(CC(CC(CC(CC(C(C(CC=CC=CC=CC=CC=CC(=O)O1)O)C)O)O)O)O)O)O)O)C
Structure:

CAS RN: 154371-24-1
CAS Name: 2-(2,4,6-trimethylanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
OPENEYE Name: 2-(2,4,6-trimethylanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
IUPAC Name: 2-(2,4,6-trimethylanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
SYSTEMATIC NAME: 2-[(2,4,6-trimethylphenyl)amino]-[1,3]thiazino[5,6-b]quinoxalin-4-one
MOLECULAR FORMULA: C19H16N4OS
MOLECULAR WEIGHT: 348.42154
SMILES: CC1=CC(=C(C(=C1)C)NC2=NC(=O)C3=NC4=CC=CC=C4N=C3S2)C
Structure:

CAS RN: 154371-23-0
CAS Name: 2-(2,4-dimethylanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
OPENEYE Name: 2-(2,4-dimethylanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
IUPAC Name: 2-(2,4-dimethylanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
SYSTEMATIC NAME: 2-[(2,4-dimethylphenyl)amino]-[1,3]thiazino[5,6-b]quinoxalin-4-one
MOLECULAR FORMULA: C18H14N4OS
MOLECULAR WEIGHT: 334.39496
SMILES: CC1=CC(=C(C=C1)NC2=NC(=O)C3=NC4=CC=CC=C4N=C3S2)C
Structure:

CAS RN: 154371-22-9
CAS Name: 2-(3-chloro-4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
OPENEYE Name: 2-(3-chloro-4-fluoro-anilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
IUPAC Name: 2-(3-chloro-4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
SYSTEMATIC NAME: 2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-[1,3]thiazino[5,6-b]quinoxalin-4-one
MOLECULAR FORMULA: C16H8ClFN4OS
MOLECULAR WEIGHT: 358.777323
SMILES: C1=CC=C2C(=C1)N=C3C(=N2)SC(=NC3=O)NC4=CC(=C(C=C4)F)Cl
Structure:

CAS RN: 154371-21-8
CAS Name: 2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
OPENEYE Name: 2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
IUPAC Name: 2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
SYSTEMATIC NAME: 2-[(4-fluorophenyl)amino]-[1,3]thiazino[5,6-b]quinoxalin-4-one
MOLECULAR FORMULA: C16H9FN4OS
MOLECULAR WEIGHT: 324.332263
SMILES: C1=CC=C2C(=C1)N=C3C(=N2)SC(=NC3=O)NC4=CC=C(C=C4)F
Structure:

CAS RN: 154371-20-7
CAS Name: 2-(2-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
OPENEYE Name: 2-(2-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
IUPAC Name: 2-(2-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
SYSTEMATIC NAME: 2-[(2-fluorophenyl)amino]-[1,3]thiazino[5,6-b]quinoxalin-4-one
MOLECULAR FORMULA: C16H9FN4OS
MOLECULAR WEIGHT: 324.332263
SMILES: C1=CC=C2C(=C1)N=C3C(=N2)SC(=NC3=O)NC4=CC=CC=C4F
Structure:

CAS RN: 154371-19-4
CAS Name: 2-(4-bromoanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
OPENEYE Name: 2-(4-bromoanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
IUPAC Name: 2-(4-bromoanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
SYSTEMATIC NAME: 2-[(4-bromophenyl)amino]-[1,3]thiazino[5,6-b]quinoxalin-4-one
MOLECULAR FORMULA: C16H9BrN4OS
MOLECULAR WEIGHT: 385.23786
SMILES: C1=CC=C2C(=C1)N=C3C(=N2)SC(=NC3=O)NC4=CC=C(C=C4)Br
Structure:

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