Sunday, July 29, 2012

http://ChemLookup.com Compounds




CAS RN: 17791-36-5
CAS Name: 2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)-3-oxanol
OPENEYE Name: 4,5-dibenzyloxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-ol
IUPAC Name: 2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
MOLECULAR FORMULA: C21H26O6
MOLECULAR WEIGHT: 374.42754
SMILES: COC1C(C(C(C(O1)CO)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
Structure:

CAS RN: 1489-01-6
CAS Name: 8-methyl-5,9-dihydropyrimido[4,5-b][1,4]diazepin-6-one
OPENEYE Name: 8-methyl-5,9-dihydropyrimido[4,5-b][1,4]diazepin-6-one
IUPAC Name: 8-methyl-5,9-dihydropyrimido[4,5-b][1,4]diazepin-6-one
SYSTEMATIC NAME: 8-methyl-5,9-dihydropyrimido[4,5-b][1,4]diazepin-6-one
MOLECULAR FORMULA: C8H8N4O
MOLECULAR WEIGHT: 176.17532
SMILES: CC1=CC(=O)NC2=CN=CN=C2N1
Structure:

CAS RN: 52645-97-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@@H](C3)[C@@H](C4)CO)(C)C(=O)O
Structure:

CAS RN: 566-09-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@@H](C3)[C@@H](C4)CO)(C)C(=O)O
Structure:

CAS RN: 10070-48-1
CAS Name: 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]chrysene-4,9-diol
OPENEYE Name: 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]chrysene-4,9-diol
IUPAC Name: 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]chrysene-4,9-diol
SYSTEMATIC NAME: 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]chrysene-4,9-diol
MOLECULAR FORMULA: C30H50O2
MOLECULAR WEIGHT: 442.7168
SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C
Structure:

CAS RN: 425-99-0
CAS Name: 2,2-difluoropropanediamide
OPENEYE Name: 2,2-difluoropropanediamide
IUPAC Name: 2,2-difluoropropanediamide
SYSTEMATIC NAME: 2,2-bis(fluoranyl)propanediamide
MOLECULAR FORMULA: C3H4F2N2O2
MOLECULAR WEIGHT: 138.072866
SMILES: C(=O)(C(C(=O)N)(F)F)N
Structure:

CAS RN: 815-59-8
CAS Name: 2-fluoropropanediamide
OPENEYE Name: 2-fluoropropanediamide
IUPAC Name: 2-fluoropropanediamide
SYSTEMATIC NAME: 2-fluoranylpropanediamide
MOLECULAR FORMULA: C3H5FN2O2
MOLECULAR WEIGHT: 120.082403
SMILES: C(C(=O)N)(C(=O)N)F
Structure:

CAS RN: 680-65-9
CAS Name: 2,2-difluoropropanedioic acid diethyl ester
OPENEYE Name: diethyl 2,2-difluoropropanedioate
IUPAC Name: diethyl 2,2-difluoropropanedioate
SYSTEMATIC NAME: diethyl 2,2-bis(fluoranyl)propanedioate
MOLECULAR FORMULA: C7H10F2O4
MOLECULAR WEIGHT: 196.148706
SMILES: CCOC(=O)C(C(=O)OCC)(F)F
Structure:

CAS RN: 118423-15-7
CAS Name: 6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: 6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: 6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: 6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C25H36O8
MOLECULAR WEIGHT: 464.54854
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4C(C(C(C(O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@]35C
Structure:

CAS RN: 1180-25-2
CAS Name: 6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: 6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: 6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: 6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C25H36O8
MOLECULAR WEIGHT: 464.54854
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4C(C(C(C(O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@]35C
Structure:

CAS RN: 16233-24-2
CAS Name: 1-(4-amino-3,5-dichlorophenyl)-3-(2-chloroethyl)urea
OPENEYE Name: 1-(4-amino-3,5-dichloro-phenyl)-3-(2-chloroethyl)urea
IUPAC Name: 1-(4-amino-3,5-dichlorophenyl)-3-(2-chloroethyl)urea
SYSTEMATIC NAME: 1-[4-azanyl-3,5-bis(chloranyl)phenyl]-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C9H10Cl3N3O
MOLECULAR WEIGHT: 282.5542
SMILES: C1=C(C=C(C(=C1Cl)N)Cl)NC(=O)NCCCl
Structure:

CAS RN: 1629-09-0
CAS Name: 1-(2-chloroethyl)-3-[3-[[(2-chloroethylamino)-oxomethyl]amino]-4-methoxyphenyl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-[3-(2-chloroethylcarbamoylamino)-4-methoxy-phenyl]urea
IUPAC Name: 1-(2-chloroethyl)-3-[3-(2-chloroethylcarbamoylamino)-4-methoxyphenyl]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[3-(2-chloroethylcarbamoylamino)-4-methoxy-phenyl]urea
MOLECULAR FORMULA: C13H18Cl2N4O3
MOLECULAR WEIGHT: 349.21302
SMILES: COC1=C(C=C(C=C1)NC(=O)NCCCl)NC(=O)NCCCl
Structure:

CAS RN: 389-46-8
CAS Name: 2-(hydroxymethyl)-5-(6-imino-1-methyl-9-purinyl)oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-(6-imino-1-methyl-purin-9-yl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(6-azanylidene-1-methyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H15N5O4
MOLECULAR WEIGHT: 281.2679
SMILES: CN1C=NC2=C(C1=N)N=CN2C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 2614-09-7
CAS Name: (4S)-5-amino-4-(1,3-dioxo-2-isoindolyl)-5-oxopentanoic acid
OPENEYE Name: (4S)-5-amino-4-(1,3-dioxoisoindolin-2-yl)-5-oxo-pentanoic acid
IUPAC Name: (4S)-5-amino-4-(1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-5-azanyl-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C13H12N2O5
MOLECULAR WEIGHT: 276.24478
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)[C@@H](CCC(=O)O)C(=O)N
Structure:

CAS RN: 2614-08-6
CAS Name: (4S)-5-amino-4-(1,3-dioxo-2-isoindolyl)-5-oxopentanoic acid
OPENEYE Name: (4S)-5-amino-4-(1,3-dioxoisoindolin-2-yl)-5-oxo-pentanoic acid
IUPAC Name: (4S)-5-amino-4-(1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-5-azanyl-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C13H12N2O5
MOLECULAR WEIGHT: 276.24478
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)[C@@H](CCC(=O)O)C(=O)N
Structure:

CAS RN: 2768-89-0
CAS Name: methanesulfonic acid [(2S,3R)-1,4-bis(methanesulfonamido)-3-methylsulfonyloxybutan-2-yl] ester
OPENEYE Name: [(1S,2R)-3-(methanesulfonamido)-1-(methanesulfonamidomethyl)-2-methylsulfonyloxy-propyl] methanesulfonate
IUPAC Name: [(2S,3R)-1,4-bis(methanesulfonamido)-3-methylsulfonyloxybutan-2-yl] methanesulfonate
SYSTEMATIC NAME: [(2S,3R)-1,4-bis(methylsulfonylamino)-3-methylsulfonyloxy-butan-2-yl] methanesulfonate
MOLECULAR FORMULA: C8H20N2O10S4
MOLECULAR WEIGHT: 432.5118
SMILES: CS(=O)(=O)NC[C@H]([C@H](CNS(=O)(=O)C)OS(=O)(=O)C)OS(=O)(=O)C
Structure:

CAS RN: 15870-78-7
CAS Name: 6-bromo-2,4-dimethyl-1,2,4-triazine-3,5-dione
OPENEYE Name: 6-bromo-2,4-dimethyl-1,2,4-triazine-3,5-dione
IUPAC Name: 6-bromo-2,4-dimethyl-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 6-bromanyl-2,4-dimethyl-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C5H6BrN3O2
MOLECULAR WEIGHT: 220.02404
SMILES: CN1C(=O)C(=NN(C1=O)C)Br
Structure:

CAS RN: 438-19-7
CAS Name: 2-methyl-1,5-diphenylpyrrole
OPENEYE Name: 2-methyl-1,5-diphenyl-pyrrole
IUPAC Name: 2-methyl-1,5-diphenylpyrrole
SYSTEMATIC NAME: 2-methyl-1,5-diphenyl-pyrrole
MOLECULAR FORMULA: C17H15N
MOLECULAR WEIGHT: 233.3077
SMILES: CC1=CC=C(N1C2=CC=CC=C2)C3=CC=CC=C3
Structure:

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