Sunday, July 29, 2012

http://ChemLookup.com Compounds




CAS RN: 77455-54-0
CAS Name: 2-[[4-(3-chloro-1-oxopropyl)-2,3-dihydroquinoxalin-1-yl]methylidene]propanedinitrile
OPENEYE Name: 2-[[4-(3-chloropropanoyl)-2,3-dihydroquinoxalin-1-yl]methylene]propanedinitrile
IUPAC Name: 2-[[4-(3-chloropropanoyl)-2,3-dihydroquinoxalin-1-yl]methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[[4-(3-chloranylpropanoyl)-2,3-dihydroquinoxalin-1-yl]methylidene]propanedinitrile
MOLECULAR FORMULA: C15H13ClN4O
MOLECULAR WEIGHT: 300.74292
SMILES: C1CN(C2=CC=CC=C2N1C=C(C#N)C#N)C(=O)CCCl
Structure:

CAS RN: 67950-95-2
CAS Name: 1-(carboxymethyl)-1-cyclohexanecarboxylic acid
OPENEYE Name: 1-(carboxymethyl)cyclohexanecarboxylic acid
IUPAC Name: 1-(carboxymethyl)cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 1-(2-hydroxy-2-oxoethyl)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C9H14O4
MOLECULAR WEIGHT: 186.20506
SMILES: C1CCC(CC1)(CC(=O)O)C(=O)O
Structure:

CAS RN: 16497-41-9
CAS Name: 1-(2-hydroxyethyl)-3-(4-methylphenyl)urea
OPENEYE Name: 1-(2-hydroxyethyl)-3-(p-tolyl)urea
IUPAC Name: 1-(2-hydroxyethyl)-3-(4-methylphenyl)urea
SYSTEMATIC NAME: 1-(2-hydroxyethyl)-3-(4-methylphenyl)urea
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: CC1=CC=C(C=C1)NC(=O)NCCO
Structure:

CAS RN: 52596-89-1
CAS Name: 2-(4-methylphenyl)-5-(2-naphthalenyl)-1,3,4-oxadiazole
OPENEYE Name: 2-(2-naphthyl)-5-(p-tolyl)-1,3,4-oxadiazole
IUPAC Name: 2-(4-methylphenyl)-5-naphthalen-2-yl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(4-methylphenyl)-5-naphthalen-2-yl-1,3,4-oxadiazole
MOLECULAR FORMULA: C19H14N2O
MOLECULAR WEIGHT: 286.32726
SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC4=CC=CC=C4C=C3
Structure:

CAS RN: 6629-34-1
CAS Name: 2-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole
OPENEYE Name: 2-(o-tolyl)-5-phenyl-1,3,4-oxadiazole
IUPAC Name: 2-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C15H12N2O
MOLECULAR WEIGHT: 236.26858
SMILES: CC1=CC=CC=C1C2=NN=C(O2)C3=CC=CC=C3
Structure:

CAS RN: 4254-14-2
CAS Name: (2R)-propane-1,2-diol
OPENEYE Name: (2R)-propane-1,2-diol
IUPAC Name: (2R)-propane-1,2-diol
SYSTEMATIC NAME: (2R)-propane-1,2-diol
MOLECULAR FORMULA: C3H8O2
MOLECULAR WEIGHT: 76.09442
SMILES: C[C@H](CO)O
Structure:

CAS RN: 637-15-0
CAS Name: (2R)-propane-1,2-diol
OPENEYE Name: (2R)-propane-1,2-diol
IUPAC Name: (2R)-propane-1,2-diol
SYSTEMATIC NAME: (2R)-propane-1,2-diol
MOLECULAR FORMULA: C3H8O2
MOLECULAR WEIGHT: 76.09442
SMILES: C[C@H](CO)O
Structure:

CAS RN: 66048-53-1
CAS Name: benzoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dibenzoyloxy-2-oxolanyl]methyl ester
OPENEYE Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate
IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C31H25N5O8
MOLECULAR WEIGHT: 595.5589
SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
Structure:

CAS RN: 465-39-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: CC12CCC(CC1CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)O
Structure:

CAS RN: 24183-15-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: CC12CCC(CC1CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)O
Structure:

CAS RN: 472-26-4
CAS Name: 5-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-pyranone
OPENEYE Name: 5-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
IUPAC Name: 5-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(3S,5S,8R,9S,10R,13R,14S,17R)-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C24H34O5
MOLECULAR WEIGHT: 402.52376
SMILES: C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O
Structure:

CAS RN: 14348-75-5
CAS Name: 2,7-dibromo-9-fluorenone
OPENEYE Name: 2,7-dibromofluoren-9-one
IUPAC Name: 2,7-dibromofluoren-9-one
SYSTEMATIC NAME: 2,7-bis(bromanyl)fluoren-9-one
MOLECULAR FORMULA: C13H6Br2O
MOLECULAR WEIGHT: 337.99414
SMILES: C1=CC2=C(C=C1Br)C(=O)C3=C2C=CC(=C3)Br
Structure:

CAS RN: 25648-70-8
CAS Name: acetic acid [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C21H28O3
MOLECULAR WEIGHT: 328.44522
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C=CC2=C1)CCC4=O)C)C
Structure:

CAS RN: 150747-52-7
CAS Name: acetic acid [(3S,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,13R,14R,17R)-13-methyl-17-[(1R,4S)-1,4,5-trimethylhexyl]-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C29H44O2
MOLECULAR WEIGHT: 424.65846
SMILES: C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2C=CC4=C3CC[C@@H](C4)OC(=O)C)C
Structure:

CAS RN: 1707-51-3
CAS Name: (7R,8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-7,10,13,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (7R,8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-7,10,13,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (7R,8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-7,10,13,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (7R,8S,9S,10R,11S,13S,14S,17S)-7,10,13,17-tetramethyl-11,17-bis(oxidanyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H32O3
MOLECULAR WEIGHT: 332.47698
SMILES: C[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(C[C@@H]3O)C)(C)O)C
Structure:

CAS RN: 3855-87-6
CAS Name: acetic acid [(2R,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11-hydroxy-2,10,13-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(2R,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11-hydroxy-2,10,13-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(2R,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11-hydroxy-2,10,13-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(2R,8S,9R,10S,11S,13S,14S,17R)-17-ethanoyl-9-fluoranyl-2,10,13-trimethyl-11-oxidanyl-3-oxidanylidene-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C24H33FO5
MOLECULAR WEIGHT: 420.514223
SMILES: C[C@@H]1C[C@]2(C(=CC1=O)CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)C)OC(=O)C)C)O)F)C
Structure:

CAS RN: 2295-94-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@]35C[C@@H]([C@H](C4)O)OC5
Structure:

CAS RN: 15758-32-4
CAS Name: (8R,9S,13S,14S,17S)-17-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
OPENEYE Name: (8R,9S,13S,14S,17S)-17-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
IUPAC Name: (8R,9S,13S,14S,17S)-17-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (8R,9S,13S,14S,17S)-3-methoxy-13-methyl-17-(4-oxidanylbutyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C23H34O3
MOLECULAR WEIGHT: 358.51426
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CCCCO)O)CCC4=C3C=CC(=C4)OC
Structure:

CAS RN: 10563-76-5
CAS Name: 2-(6-aminopurin-9-yl)oxane-3,4,5-triol
OPENEYE Name: 2-(6-aminopurin-9-yl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(6-aminopurin-9-yl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)oxane-3,4,5-triol
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1C(C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O
Structure:

CAS RN: 17434-52-5
CAS Name: 2-(6-aminopurin-9-yl)oxane-3,4,5-triol
OPENEYE Name: 2-(6-aminopurin-9-yl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(6-aminopurin-9-yl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)oxane-3,4,5-triol
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1C(C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O
Structure:

CAS RN: 18031-19-1
CAS Name: 2-(6-aminopurin-9-yl)oxane-3,4,5-triol
OPENEYE Name: 2-(6-aminopurin-9-yl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(6-aminopurin-9-yl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)oxane-3,4,5-triol
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1C(C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O
Structure:

CAS RN: 18031-20-4
CAS Name: 2-(6-aminopurin-9-yl)oxane-3,4,5-triol
OPENEYE Name: 2-(6-aminopurin-9-yl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(6-aminopurin-9-yl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)oxane-3,4,5-triol
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1C(C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O
Structure:

CAS RN: 545-47-1
CAS Name: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
OPENEYE Name: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
IUPAC Name: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
SYSTEMATIC NAME: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C
Structure:

CAS RN: 2131-27-3
CAS Name: 1-(1-cyanocyclohexyl)-1-cyclohexanecarbonitrile
OPENEYE Name: 1-(1-cyanocyclohexyl)cyclohexanecarbonitrile
IUPAC Name: 1-(1-cyanocyclohexyl)cyclohexane-1-carbonitrile
SYSTEMATIC NAME: 1-(1-cyanocyclohexyl)cyclohexane-1-carbonitrile
MOLECULAR FORMULA: C14H20N2
MOLECULAR WEIGHT: 216.322
SMILES: C1CCC(CC1)(C#N)C2(CCCCC2)C#N
Structure:

CAS RN: 2610-95-9
CAS Name: 2-(ethylthio)-3-methylnaphthalene-1,4-dione
OPENEYE Name: 2-ethylsulfanyl-3-methyl-naphthalene-1,4-dione
IUPAC Name: 2-ethylsulfanyl-3-methylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2-ethylsulfanyl-3-methyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C13H12O2S
MOLECULAR WEIGHT: 232.29818
SMILES: CCSC1=C(C(=O)C2=CC=CC=C2C1=O)C
Structure:

No comments:

Post a Comment