CAS RN: 13224-94-7
CAS Name: 6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
OPENEYE Name: 6-(hydroxymethyl)-4-methoxy-tetrahydropyran-2,3,5-triol
IUPAC Name: 6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
SYSTEMATIC NAME: 6-(hydroxymethyl)-4-methoxy-oxane-2,3,5-triol
MOLECULAR FORMULA: C7H14O6
MOLECULAR WEIGHT: 194.18246
SMILES: COC1C(C(OC(C1O)O)CO)O
Structure:
CAS RN: 3370-81-8
CAS Name: 6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
OPENEYE Name: 6-(hydroxymethyl)-4-methoxy-tetrahydropyran-2,3,5-triol
IUPAC Name: 6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
SYSTEMATIC NAME: 6-(hydroxymethyl)-4-methoxy-oxane-2,3,5-triol
MOLECULAR FORMULA: C7H14O6
MOLECULAR WEIGHT: 194.18246
SMILES: COC1C(C(OC(C1O)O)CO)O
Structure:
CAS RN: 28203-05-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H36O7
MOLECULAR WEIGHT: 496.59194
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC5C4=C(CC6C5C(=O)OC6=O)OC(=O)C)C)C
Structure:
CAS RN: 93589-71-0
CAS Name: (5S,8R,9R,10S,13S,14S,17R)-13-methylspiro[1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
OPENEYE Name: (5S,8R,9R,10S,13S,14S,17R)-13-methylspiro[1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione
IUPAC Name: (5S,8R,9R,10S,13S,14S,17R)-13-methylspiro[1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
SYSTEMATIC NAME: (5S,8R,9R,10S,13S,14S,17R)-13-methylspiro[1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
MOLECULAR FORMULA: C21H30O3
MOLECULAR WEIGHT: 330.4611
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]24CCC(=O)O4)CC[C@@H]5[C@@H]3CCC(=O)C5
Structure:
CAS RN: 362-05-0
CAS Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol
OPENEYE Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol
IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol
SYSTEMATIC NAME: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol
MOLECULAR FORMULA: C18H24O3
MOLECULAR WEIGHT: 288.38136
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)O
Structure:
CAS RN: 63716-16-5
CAS Name: (1R,3aS,3bS,5aR,7R,9aR,9bS,11aR)-6,9a,11a-trimethyl-1-[(2R)-6-methylheptan-2-yl]-7-(phenylmethyl)-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline
OPENEYE Name: (1R,3aS,3bS,5aR,7R,9aR,9bS,11aR)-7-benzyl-1-[(1R)-1,5-dimethylhexyl]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline
IUPAC Name: (1R,3aS,3bS,5aR,7R,9aR,9bS,11aR)-7-benzyl-6,9a,11a-trimethyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline
SYSTEMATIC NAME: (1R,3aS,3bS,5aR,7R,9aR,9bS,11aR)-6,9a,11a-trimethyl-1-[(2R)-6-methylheptan-2-yl]-7-(phenylmethyl)-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline
MOLECULAR FORMULA: C34H55N
MOLECULAR WEIGHT: 477.8072
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](N4C)CC5=CC=CC=C5)C)C
Structure:
CAS RN: 5428-36-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H49N
MOLECULAR WEIGHT: 459.74886
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC5=C(C4)NC6=CC=CC=C56)C)C
Structure:
CAS RN: 109123-78-6
CAS Name: (1R,3aS,3bS,10aR,10bS,12aR)-10a,12a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-7-one
OPENEYE Name: (1R,3aS,3bS,10aR,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-7-one
IUPAC Name: (1R,3aS,3bS,10aR,10bS,12aR)-10a,12a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-7-one
SYSTEMATIC NAME: (1R,3aS,3bS,10aR,10bS,12aR)-10a,12a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-7-one
MOLECULAR FORMULA: C27H45NO
MOLECULAR WEIGHT: 399.6523
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)NCC[C@]34C)C
Structure:
CAS RN: 66857-14-5
CAS Name: (1R,3aS,3bS,5aR,7R,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f][1]benzopyran-7-ol
OPENEYE Name: (1R,3aS,3bS,5aR,7R,9aR,9bS,11aR)-1-[(1R)-1,5-dimethylhexyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol
IUPAC Name: (1R,3aS,3bS,5aR,7R,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol
SYSTEMATIC NAME: (1R,3aS,3bS,5aR,7R,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol
MOLECULAR FORMULA: C26H46O2
MOLECULAR WEIGHT: 390.64224
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](O4)O)C)C
Structure:
CAS RN: 32203-24-0
CAS Name: (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f][1]benzopyran
OPENEYE Name: (1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-[(1R)-1,5-dimethylhexyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromene
IUPAC Name: (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromene
SYSTEMATIC NAME: (1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromene
MOLECULAR FORMULA: C26H46O
MOLECULAR WEIGHT: 374.64284
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCO4)C)C
Structure:
CAS RN: 63716-91-6
CAS Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2-methyl-1,3-dithiolan-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f][1]benzopyran-7-one
OPENEYE Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2-methyl-1,3-dithiolan-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one
IUPAC Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2-methyl-1,3-dithiolan-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one
SYSTEMATIC NAME: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2-methyl-1,3-dithiolan-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one
MOLECULAR FORMULA: C22H34O2S2
MOLECULAR WEIGHT: 394.63416
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4(SCCS4)C)CC[C@@H]5[C@@]3(CCC(=O)O5)C
Structure:
CAS RN: 4075-20-1
CAS Name: (8R,9S,10R,13R,14R,17S)-14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,13R,14R,17S)-14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,13R,14R,17S)-14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13R,14R,17S)-10,13-dimethyl-14,17-bis(oxidanyl)-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H28O3
MOLECULAR WEIGHT: 304.42382
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@]3(CC[C@@H]4O)O)C
Structure:
CAS RN: 23597-25-3
CAS Name: (3R,5R,8S,9S,10S,11S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
OPENEYE Name: (3R,5R,8S,9S,10S,11S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
IUPAC Name: (3R,5R,8S,9S,10S,11S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
SYSTEMATIC NAME: (3R,5R,8S,9S,10S,11S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
MOLECULAR FORMULA: C19H32O3
MOLECULAR WEIGHT: 308.45558
SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4O)C)O)O
Structure:
CAS RN: 92547-49-4
CAS Name: 2-(dimethylamino)-2-(4-methoxyphenyl)acetamide
OPENEYE Name: 2-(dimethylamino)-2-(4-methoxyphenyl)acetamide
IUPAC Name: 2-(dimethylamino)-2-(4-methoxyphenyl)acetamide
SYSTEMATIC NAME: 2-(dimethylamino)-2-(4-methoxyphenyl)ethanamide
MOLECULAR FORMULA: C11H16N2O2
MOLECULAR WEIGHT: 208.25694
SMILES: CN(C)C(C1=CC=C(C=C1)OC)C(=O)N
Structure:
CAS RN: 89399-17-7
CAS Name: 2-benzoyloxy-4-(phenylmethoxycarbonylamino)benzoic acid methyl ester
OPENEYE Name: methyl 2-benzoyloxy-4-(benzyloxycarbonylamino)benzoate
IUPAC Name: methyl 2-benzoyloxy-4-(phenylmethoxycarbonylamino)benzoate
SYSTEMATIC NAME: methyl 2-(phenylcarbonyloxy)-4-(phenylmethoxycarbonylamino)benzoate
MOLECULAR FORMULA: C23H19NO6
MOLECULAR WEIGHT: 405.40006
SMILES: COC(=O)C1=C(C=C(C=C1)NC(=O)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3
Structure:
CAS RN: 2260-68-6
CAS Name: 6-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
OPENEYE Name: 6-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
IUPAC Name: 6-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C12H13FN4
MOLECULAR WEIGHT: 232.256823
SMILES: C1=CC(=CC=C1CCC2=CC(=NC(=N2)N)N)F
Structure:
CAS RN: 151648-52-1
CAS Name: 6,7-bis(4-aminophenyl)pteridine-2,4-diamine
OPENEYE Name: 6,7-bis(4-aminophenyl)pteridine-2,4-diamine
IUPAC Name: 6,7-bis(4-aminophenyl)pteridine-2,4-diamine
SYSTEMATIC NAME: 6,7-bis(4-aminophenyl)pteridine-2,4-diamine
MOLECULAR FORMULA: C18H16N8
MOLECULAR WEIGHT: 344.37324
SMILES: C1=CC(=CC=C1C2=NC3=C(N=C2C4=CC=C(C=C4)N)N=C(N=C3N)N)N
Structure:
CAS RN: 4586-65-6
CAS Name: 1-(4-methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione
OPENEYE Name: 1-(4-methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione
IUPAC Name: 1-(4-methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione
MOLECULAR FORMULA: C16H13NO5
MOLECULAR WEIGHT: 299.27812
SMILES: COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 92956-95-1
CAS Name: 1-(5-chloro-2-hydroxyphenyl)-3-(2-quinolinyl)propane-1,3-dione
OPENEYE Name: 1-(5-chloro-2-hydroxy-phenyl)-3-(2-quinolyl)propane-1,3-dione
IUPAC Name: 1-(5-chloro-2-hydroxyphenyl)-3-quinolin-2-ylpropane-1,3-dione
SYSTEMATIC NAME: 1-(5-chloranyl-2-oxidanyl-phenyl)-3-quinolin-2-yl-propane-1,3-dione
MOLECULAR FORMULA: C18H12ClNO3
MOLECULAR WEIGHT: 325.74578
SMILES: C1=CC=C2C(=C1)C=CC(=N2)C(=O)CC(=O)C3=C(C=CC(=C3)Cl)O
Structure:
CAS RN: 6399-55-9
CAS Name: N1,N4-bis[3-methyl-4-[methylamino(methylimino)methyl]phenyl]benzene-1,4-dicarboxamide
OPENEYE Name: N1,N4-bis[4-(N,N'-dimethylcarbamimidoyl)-3-methyl-phenyl]terephthalamide
IUPAC Name: 1-N,4-N-bis[4-(N,N'-dimethylcarbamimidoyl)-3-methylphenyl]benzene-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-bis[4-(N,N'-dimethylcarbamimidoyl)-3-methyl-phenyl]benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C28H32N6O2
MOLECULAR WEIGHT: 484.59268
SMILES: CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C(=NC)NC)C)C(=NC)NC
Structure:
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