Friday, July 27, 2012

http://ChemLookup.com Compounds




CAS RN: 18505-91-4
CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetonitrile
OPENEYE Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetonitrile
IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanenitrile
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: C1C(OC2=CC=CC=C2O1)CC#N
Structure:

CAS RN: 18414-75-0
CAS Name: decyl(trimethyl)silane
OPENEYE Name: decyl(trimethyl)silane
IUPAC Name: decyl(trimethyl)silane
SYSTEMATIC NAME: decyl(trimethyl)silane
MOLECULAR FORMULA: C13H30Si
MOLECULAR WEIGHT: 214.4628
SMILES: CCCCCCCCCC[Si](C)(C)C
Structure:

CAS RN: 87988-61-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H16N2O5
MOLECULAR WEIGHT: 364.35144
SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5[N+](=C4C3=C2)[O-])O
Structure:

CAS RN: 32794-43-7
CAS Name: 2-(dihexylamino)-N-[4-[4-[[2-(dihexylamino)-1-oxoethyl]amino]phenyl]sulfonylphenyl]acetamide
OPENEYE Name: 2-(dihexylamino)-N-[4-[4-[[2-(dihexylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide
IUPAC Name: 2-(dihexylamino)-N-[4-[4-[[2-(dihexylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide
SYSTEMATIC NAME: 2-(dihexylamino)-N-[4-[4-[2-(dihexylamino)ethanoylamino]phenyl]sulfonylphenyl]ethanamide
MOLECULAR FORMULA: C40H66N4O4S
MOLECULAR WEIGHT: 699.04144
SMILES: CCCCCCN(CCCCCC)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN(CCCCCC)CCCCCC
Structure:

CAS RN: 15450-69-8
CAS Name: 1,6,7,8-tetrahydroquinoline-2,5-dione
OPENEYE Name: 1,6,7,8-tetrahydroquinoline-2,5-dione
IUPAC Name: 1,6,7,8-tetrahydroquinoline-2,5-dione
SYSTEMATIC NAME: 1,6,7,8-tetrahydroquinoline-2,5-dione
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: C1CC2=C(C=CC(=O)N2)C(=O)C1
Structure:

CAS RN: 41938-15-2
CAS Name: 3-hydroxy-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]butanoic acid methyl ester
OPENEYE Name: methyl 2-[2-(tert-butoxycarbonylamino)propanoylamino]-3-hydroxy-butanoate
IUPAC Name: methyl 3-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]butanoate
SYSTEMATIC NAME: methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-oxidanyl-butanoate
MOLECULAR FORMULA: C13H24N2O6
MOLECULAR WEIGHT: 304.33946
SMILES: CC(C(C(=O)OC)NC(=O)C(C)NC(=O)OC(C)(C)C)O
Structure:

CAS RN: 4064-09-9
CAS Name: acetic acid [(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5S,8R,9S,10S,13R,14S,17R)-10-methanoyl-13-methyl-5,14-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C26H34O7
MOLECULAR WEIGHT: 458.54396
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3CC[C@@]2(C1)O)O)C5=COC(=O)C=C5)C)C=O
Structure:

CAS RN: 16078-64-1
CAS Name: 5-hydroxy-2-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione
OPENEYE Name: 5-hydroxy-2-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione
IUPAC Name: 5-hydroxy-2-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SYSTEMATIC NAME: 5-oxidanyl-2-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione
MOLECULAR FORMULA: C11H8N4O3
MOLECULAR WEIGHT: 244.20622
SMILES: C1=CC=C(C=C1)N2C=C3C(=NC(=O)N(C3=O)O)N2
Structure:

CAS RN: 16078-67-4
CAS Name: 6-hydroxy-2-phenyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
OPENEYE Name: 6-hydroxy-2-phenyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
IUPAC Name: 6-hydroxy-2-phenyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 6-oxidanyl-2-phenyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C11H8N4O3
MOLECULAR WEIGHT: 244.20622
SMILES: C1=CC=C(C=C1)N2C=C3C(=N2)C(=O)N(C(=O)N3)O
Structure:

CAS RN: 16078-65-2
CAS Name: benzenesulfonic acid (4,6-dioxo-2-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5-yl) ester
OPENEYE Name: (4,6-dioxo-2-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5-yl) benzenesulfonate
IUPAC Name: (4,6-dioxo-2-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5-yl) benzenesulfonate
SYSTEMATIC NAME: [4,6-bis(oxidanylidene)-2-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5-yl] benzenesulfonate
MOLECULAR FORMULA: C17H12N4O5S
MOLECULAR WEIGHT: 384.36598
SMILES: C1=CC=C(C=C1)N2C=C3C(=NC(=O)N(C3=O)OS(=O)(=O)C4=CC=CC=C4)N2
Structure:

CAS RN: 35117-30-7
CAS Name: 2-(phenylhydrazinylidene)indene-1,3-dione
OPENEYE Name: 2-(phenylhydrazono)indane-1,3-dione
IUPAC Name: 2-(phenylhydrazinylidene)indene-1,3-dione
SYSTEMATIC NAME: 2-(phenylhydrazinylidene)indene-1,3-dione
MOLECULAR FORMULA: C15H10N2O2
MOLECULAR WEIGHT: 250.2521
SMILES: C1=CC=C(C=C1)NN=C2C(=O)C3=CC=CC=C3C2=O
Structure:

CAS RN: 5177-15-1
CAS Name: 1-bromo-4-[(4-bromophenyl)methylsulfonylmethyl]benzene
OPENEYE Name: 1-bromo-4-[(4-bromophenyl)methylsulfonylmethyl]benzene
IUPAC Name: 1-bromo-4-[(4-bromophenyl)methylsulfonylmethyl]benzene
SYSTEMATIC NAME: 1-bromanyl-4-[(4-bromophenyl)methylsulfonylmethyl]benzene
MOLECULAR FORMULA: C14H12Br2O2S
MOLECULAR WEIGHT: 404.11688
SMILES: C1=CC(=CC=C1CS(=O)(=O)CC2=CC=C(C=C2)Br)Br
Structure:

CAS RN: 19677-37-3
CAS Name: 2-(4-chlorophenyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(4-chlorophenyl)propanedioate
IUPAC Name: diethyl 2-(4-chlorophenyl)propanedioate
SYSTEMATIC NAME: diethyl 2-(4-chlorophenyl)propanedioate
MOLECULAR FORMULA: C13H15ClO4
MOLECULAR WEIGHT: 270.7088
SMILES: CCOC(=O)C(C1=CC=C(C=C1)Cl)C(=O)OCC
Structure:

CAS RN: 33185-45-4
CAS Name: 1-(1,1-dioxo-4-thianyl)-3-(2-fluoroethyl)urea
OPENEYE Name: 1-(1,1-dioxothian-4-yl)-3-(2-fluoroethyl)urea
IUPAC Name: 1-(1,1-dioxothian-4-yl)-3-(2-fluoroethyl)urea
SYSTEMATIC NAME: 1-[1,1-bis(oxidanylidene)thian-4-yl]-3-(2-fluoranylethyl)urea
MOLECULAR FORMULA: C8H15FN2O3S
MOLECULAR WEIGHT: 238.279703
SMILES: C1CS(=O)(=O)CCC1NC(=O)NCCF
Structure:

CAS RN: 33162-00-4
CAS Name: 1-(2-chloroethyl)-3-(1,1-dioxo-4-thianyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(1,1-dioxothian-4-yl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(1,1-dioxothian-4-yl)urea
SYSTEMATIC NAME: 1-[1,1-bis(oxidanylidene)thian-4-yl]-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C8H15ClN2O3S
MOLECULAR WEIGHT: 254.7343
SMILES: C1CS(=O)(=O)CCC1NC(=O)NCCCl
Structure:

CAS RN: 19882-46-3
CAS Name: 1-[2-(chloromethyl)-1-benzimidazolyl]ethanone
OPENEYE Name: 1-[2-(chloromethyl)benzimidazol-1-yl]ethanone
IUPAC Name: 1-[2-(chloromethyl)benzimidazol-1-yl]ethanone
SYSTEMATIC NAME: 1-[2-(chloromethyl)benzimidazol-1-yl]ethanone
MOLECULAR FORMULA: C10H9ClN2O
MOLECULAR WEIGHT: 208.64426
SMILES: CC(=O)N1C2=CC=CC=C2N=C1CCl
Structure:

CAS RN: 129639-79-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC
Structure:

CAS RN: 128-76-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC
Structure:

CAS RN: 36097-68-4
CAS Name: (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-N-methylbutanamide
OPENEYE Name: (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-N-methyl-butanamide
IUPAC Name: (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-N-methylbutanamide
SYSTEMATIC NAME: (2S)-2-[8-(hydroxymethyl)-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-N-methyl-2-oxidanyl-butanamide
MOLECULAR FORMULA: C21H21N3O4
MOLECULAR WEIGHT: 379.40914
SMILES: CC[C@](C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO)(C(=O)NC)O
Structure:

CAS RN: 5588-38-5
CAS Name: N-(4-methylphenyl)sulfonyl-1-pyrrolidinecarboxamide
OPENEYE Name: N-(p-tolylsulfonyl)pyrrolidine-1-carboxamide
IUPAC Name: N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
SYSTEMATIC NAME: N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
MOLECULAR FORMULA: C12H16N2O3S
MOLECULAR WEIGHT: 268.33204
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCC2
Structure:

CAS RN: 24915-65-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H82O23
MOLECULAR WEIGHT: 1063.18298
SMILES: CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)OC19CCC(O9)(C)COC1C(C(C(C(O1)CO)O)O)O
Structure:

CAS RN: 25426-60-2
CAS Name: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[[3-[[4,5-dihydroxy-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-4,5-dihydroxy-2-oxanyl]oxy]-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
OPENEYE Name: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[3-[4,5-dihydroxy-3-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahy
IUPAC Name: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[3-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
SYSTEMATIC NAME: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[3-[4,5-bis(oxidanyl)-3-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-5-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxyl
MOLECULAR FORMULA: C45H72O16
MOLECULAR WEIGHT: 869.04358
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O
Structure:

CAS RN: 25314-45-8
CAS Name: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[[3-[[4,5-dihydroxy-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-4,5-dihydroxy-2-oxanyl]oxy]-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
OPENEYE Name: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[3-[4,5-dihydroxy-3-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahy
IUPAC Name: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[3-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
SYSTEMATIC NAME: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[3-[4,5-bis(oxidanyl)-3-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-5-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxyl
MOLECULAR FORMULA: C45H72O16
MOLECULAR WEIGHT: 869.04358
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O
Structure:

CAS RN: 25480-74-4
CAS Name: 10-[[3-[[3-[[3,5-dihydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-4,5-dihydroxy-2-oxanyl]oxy]-4,5-dihydroxy-2-oxanyl]oxy]-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbo
OPENEYE Name: 10-[3-[3-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,
IUPAC Name: 10-[3-[3-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic ac
SYSTEMATIC NAME: 10-[3-[3-[4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-5-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene
MOLECULAR FORMULA: C51H82O21
MOLECULAR WEIGHT: 1031.18418
SMILES: CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)OC9C(C(C(C(O9)CO)O)O)O)O)C)C(=O)O)C
Structure:

CAS RN: 27013-91-8
CAS Name: 10-[[4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-oxanyl]oxy]-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
OPENEYE Name: 10-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
IUPAC Name: 10-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
SYSTEMATIC NAME: 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
MOLECULAR FORMULA: C41H66O12
MOLECULAR WEIGHT: 750.95554
SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O)O
Structure:

CAS RN: 19057-61-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H84O22
MOLECULAR WEIGHT: 1049.19946
SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)C)C)C)OC1
Structure:

CAS RN: 10300-27-3
CAS Name: 2-amino-9-[3-hydroxy-5-(hydroxymethyl)-4-methoxy-2-oxolanyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[3-hydroxy-5-(hydroxymethyl)-4-methoxy-tetrahydrofuran-2-yl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[5-(hydroxymethyl)-4-methoxy-3-oxidanyl-oxolan-2-yl]-3H-purin-6-one
MOLECULAR FORMULA: C11H15N5O5
MOLECULAR WEIGHT: 297.2673
SMILES: COC1C(OC(C1O)N2C=NC3=C2NC(=NC3=O)N)CO
Structure:

CAS RN: 15191-25-0
CAS Name: 1-(2-chloroethyl)-3-(2-methoxyphenyl)-1-nitrosourea
OPENEYE Name: 1-(2-chloroethyl)-3-(2-methoxyphenyl)-1-nitroso-urea
IUPAC Name: 1-(2-chloroethyl)-3-(2-methoxyphenyl)-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(2-methoxyphenyl)-1-nitroso-urea
MOLECULAR FORMULA: C10H12ClN3O3
MOLECULAR WEIGHT: 257.67358
SMILES: COC1=CC=CC=C1NC(=O)N(CCCl)N=O
Structure:

CAS RN: 151921-87-8
CAS Name: 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea
OPENEYE Name: 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)-1-nitroso-urea
IUPAC Name: 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)-1-nitroso-urea
MOLECULAR FORMULA: C9H8Cl3N3O2
MOLECULAR WEIGHT: 296.53772
SMILES: C1=CC(=C(C=C1NC(=O)N(CCCl)N=O)Cl)Cl
Structure:

CAS RN: 151928-32-4
CAS Name: 1-(2-bromoethyl)-3-(4-methylphenyl)-1-nitrosourea
OPENEYE Name: 1-(2-bromoethyl)-1-nitroso-3-(p-tolyl)urea
IUPAC Name: 1-(2-bromoethyl)-3-(4-methylphenyl)-1-nitrosourea
SYSTEMATIC NAME: 1-(2-bromoethyl)-3-(4-methylphenyl)-1-nitroso-urea
MOLECULAR FORMULA: C10H12BrN3O2
MOLECULAR WEIGHT: 286.12518
SMILES: CC1=CC=C(C=C1)NC(=O)N(CCBr)N=O
Structure:

CAS RN: 15188-78-0
CAS Name: 1-(2-hydroxyethyl)-3-(2-methoxyphenyl)urea
OPENEYE Name: 1-(2-hydroxyethyl)-3-(2-methoxyphenyl)urea
IUPAC Name: 1-(2-hydroxyethyl)-3-(2-methoxyphenyl)urea
SYSTEMATIC NAME: 1-(2-hydroxyethyl)-3-(2-methoxyphenyl)urea
MOLECULAR FORMULA: C10H14N2O3
MOLECULAR WEIGHT: 210.22976
SMILES: COC1=CC=CC=C1NC(=O)NCCO
Structure:

CAS RN: 1519-21-7
CAS Name: 1-(2,6-dimethylphenyl)-3-(4-methylphenyl)urea
OPENEYE Name: 1-(2,6-dimethylphenyl)-3-(p-tolyl)urea
IUPAC Name: 1-(2,6-dimethylphenyl)-3-(4-methylphenyl)urea
SYSTEMATIC NAME: 1-(2,6-dimethylphenyl)-3-(4-methylphenyl)urea
MOLECULAR FORMULA: C16H18N2O
MOLECULAR WEIGHT: 254.32692
SMILES: CC1=CC=C(C=C1)NC(=O)NC2=C(C=CC=C2C)C
Structure:

CAS RN: 92193-76-5
CAS Name: 1-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
OPENEYE Name: 1-(m-tolyl)-3-[3-(trifluoromethyl)phenyl]urea
IUPAC Name: 1-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C15H13F3N2O
MOLECULAR WEIGHT: 294.27173
SMILES: CC1=CC(=CC=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F
Structure:

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