CAS RN: 131944-03-1
CAS Name: (13S,14S,16R)-3,16-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
OPENEYE Name: (13S,14S,16R)-3,16-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
IUPAC Name: (13S,14S,16R)-3,16-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (13S,14S,16R)-13-methyl-3,16-bis(oxidanyl)-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C18H18O3
MOLECULAR WEIGHT: 282.33372
SMILES: C[C@]12CCC3=C([C@@H]1C[C@H](C2=O)O)C=CC4=C3C=CC(=C4)O
Structure:
CAS RN: 131887-48-4
CAS Name: 2-(phenylmethyl)morpholine
OPENEYE Name: 2-benzylmorpholine
IUPAC Name: 2-benzylmorpholine
SYSTEMATIC NAME: 2-(phenylmethyl)morpholine
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: C1COC(CN1)CC2=CC=CC=C2
Structure:
CAS RN: 131865-61-7
CAS Name: 5-iodo-3-pyridinecarboxylic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 5-iodopyridine-3-carboxylate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 5-iodopyridine-3-carboxylate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 5-iodanylpyridine-3-carboxylate
MOLECULAR FORMULA: C10H7IN2O4
MOLECULAR WEIGHT: 346.07805
SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC(=CN=C2)I
Structure:
CAS RN: 131544-83-7
CAS Name: 1-[(1S,3R)-2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene
OPENEYE Name: 1-benzyloxy-4-[(1S,3R)-2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]benzene
IUPAC Name: 1-[(1S,3R)-2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene
SYSTEMATIC NAME: 1-[(1S,3R)-2,2-bis(chloranyl)-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxy-benzene
MOLECULAR FORMULA: C30H26Cl2O3
MOLECULAR WEIGHT: 505.43164
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@](C2(Cl)Cl)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OCC5=CC=CC=C5
Structure:
CAS RN: 131802-67-0
CAS Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-7-(2-phenylethyl)-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
OPENEYE Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-7-(2-phenylethyl)-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
IUPAC Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-7-(2-phenylethyl)-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
SYSTEMATIC NAME: (8R,9S,10R,13S,14S)-10,13-dimethyl-7-(2-phenylethyl)-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
MOLECULAR FORMULA: C27H30O2
MOLECULAR WEIGHT: 386.5259
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=CC4=CC(=O)C=C[C@]34C)CCC5=CC=CC=C5
Structure:
CAS RN: 131802-66-9
CAS Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-7-(phenylmethyl)-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
OPENEYE Name: (8R,9S,10R,13S,14S)-7-benzyl-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
IUPAC Name: (8R,9S,10R,13S,14S)-7-benzyl-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
SYSTEMATIC NAME: (8R,9S,10R,13S,14S)-10,13-dimethyl-7-(phenylmethyl)-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
MOLECULAR FORMULA: C26H28O2
MOLECULAR WEIGHT: 372.49932
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=CC4=CC(=O)C=C[C@]34C)CC5=CC=CC=C5
Structure:
CAS RN: 131736-83-9
CAS Name: 1-fluoro-2-hydroxybutane-1,2,4-tricarboxylic acid
OPENEYE Name: 1-fluoro-2-hydroxy-butane-1,2,4-tricarboxylic acid
IUPAC Name: 1-fluoro-2-hydroxybutane-1,2,4-tricarboxylic acid
SYSTEMATIC NAME: 1-fluoranyl-2-oxidanyl-butane-1,2,4-tricarboxylic acid
MOLECULAR FORMULA: C7H9FO7
MOLECULAR WEIGHT: 224.140563
SMILES: C(CC(C(C(=O)O)F)(C(=O)O)O)C(=O)O
Structure:
CAS RN: 131711-46-1
CAS Name: 2-acetamido-3-[[7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]thio]propanoic acid
OPENEYE Name: 2-acetamido-3-[[7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]sulfanyl]propanoic acid
IUPAC Name: 2-acetamido-3-[[7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]sulfanyl]propanoic acid
SYSTEMATIC NAME: 2-acetamido-3-[[7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]sulfanyl]propanoic acid
MOLECULAR FORMULA: C13H18N2O4S
MOLECULAR WEIGHT: 298.35802
SMILES: CC(=O)NC(CSC1CCN2C1=C(C=C2)CO)C(=O)O
Structure:
CAS RN: 131699-67-7
CAS Name: 1,3-dimethyl-6-[(2S)-2-oxiranyl]pyrimidine-2,4-dione
OPENEYE Name: 1,3-dimethyl-6-[(2S)-oxiran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1,3-dimethyl-6-[(2S)-oxiran-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1,3-dimethyl-6-[(2S)-oxiran-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H10N2O3
MOLECULAR WEIGHT: 182.1766
SMILES: CN1C(=CC(=O)N(C1=O)C)[C@H]2CO2
Structure:
CAS RN: 131666-46-1
CAS Name: 8-methoxy-N-(2-methylphenyl)-4-quinolinamine
OPENEYE Name: 8-methoxy-N-(o-tolyl)quinolin-4-amine
IUPAC Name: 8-methoxy-N-(2-methylphenyl)quinolin-4-amine
SYSTEMATIC NAME: 8-methoxy-N-(2-methylphenyl)quinolin-4-amine
MOLECULAR FORMULA: C17H16N2O
MOLECULAR WEIGHT: 264.32174
SMILES: CC1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2)OC
Structure:
CAS RN: 131635-07-9
CAS Name: 2,8-diamino-9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)-2-oxolanyl]-3H-purin-6-one
OPENEYE Name: 2,8-diamino-9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)tetrahydrofuran-2-yl]-3H-purin-6-one
IUPAC Name: 2,8-diamino-9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]-3H-purin-6-one
SYSTEMATIC NAME: 2,8-bis(azanyl)-9-[(2R,3R,4S,5S)-5-(iodanylmethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one
MOLECULAR FORMULA: C10H13IN6O4
MOLECULAR WEIGHT: 408.15249
SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)N=C(N3)N)N=C2N)O)O)I
Structure:
CAS RN: 131623-13-7
CAS Name: 4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-7-furo[3,2-g][1]benzopyranone
OPENEYE Name: 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyfuro[3,2-g]chromen-7-one
IUPAC Name: 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one
SYSTEMATIC NAME: 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one
MOLECULAR FORMULA: C17H16O9
MOLECULAR WEIGHT: 364.30354
SMILES: C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 131612-93-6
CAS Name: 2-(3-methoxy-4-phenylmethoxyphenyl)-4H-benzo[h][1]benzopyran
OPENEYE Name: 2-(4-benzyloxy-3-methoxy-phenyl)-4H-benzo[h]chromene
IUPAC Name: 2-(3-methoxy-4-phenylmethoxyphenyl)-4H-benzo[h]chromene
SYSTEMATIC NAME: 2-(3-methoxy-4-phenylmethoxy-phenyl)-4H-benzo[h]chromene
MOLECULAR FORMULA: C27H22O3
MOLECULAR WEIGHT: 394.46178
SMILES: COC1=C(C=CC(=C1)C2=CCC3=C(O2)C4=CC=CC=C4C=C3)OCC5=CC=CC=C5
Structure:
CAS RN: 131612-92-5
CAS Name: [(2S,3S)-5-fluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate
OPENEYE Name: [(2S,3S)-5-fluoro-2,3-dihydroxy-4-oxo-pentyl] dihydrogen phosphate
IUPAC Name: [(2S,3S)-5-fluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2S,3S)-5-fluoranyl-2,3-bis(oxidanyl)-4-oxidanylidene-pentyl] dihydrogen phosphate
MOLECULAR FORMULA: C5H10FO7P
MOLECULAR WEIGHT: 232.100864
SMILES: C([C@@H]([C@@H](C(=O)CF)O)O)OP(=O)(O)O
Structure:
CAS RN: 131579-68-5
CAS Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[4-(5-nitro-2-furanyl)-2-thiazolyl]amino]-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[4-(5-nitro-2-furyl)thiazol-2-yl]amino]tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]amino]oxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]amino]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C13H13N3O9S
MOLECULAR WEIGHT: 387.32202
SMILES: C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
Structure:
CAS RN: 131574-34-0
CAS Name: 2,4-difluoro-5-nitrobenzenesulfonic acid
OPENEYE Name: 2,4-difluoro-5-nitro-benzenesulfonic acid
IUPAC Name: 2,4-difluoro-5-nitrobenzenesulfonic acid
SYSTEMATIC NAME: 2,4-bis(fluoranyl)-5-nitro-benzenesulfonic acid
MOLECULAR FORMULA: C6H3F2NO5S
MOLECULAR WEIGHT: 239.153526
SMILES: C1=C(C(=CC(=C1S(=O)(=O)O)F)F)[N+](=O)[O-]
Structure:
CAS RN: 131569-90-9
CAS Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(phenylseleno)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid
OPENEYE Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-phenylselanyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-phenylselanyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,4S,5R,6R)-5-acetamido-4-oxidanyl-2-phenylselanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
MOLECULAR FORMULA: C17H23NO8Se
MOLECULAR WEIGHT: 448.32642
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)[Se]C2=CC=CC=C2)O
Structure:
CAS RN: 131567-14-1
CAS Name: 8-chloro-5-(3-iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
OPENEYE Name: 8-chloro-5-(3-iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
IUPAC Name: 8-chloro-5-(3-iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SYSTEMATIC NAME: 8-chloranyl-5-(3-iodanylphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
MOLECULAR FORMULA: C17H17ClINO
MOLECULAR WEIGHT: 413.68045
SMILES: CN1CCC2=CC(=C(C=C2C(C1)C3=CC(=CC=C3)I)O)Cl
Structure:
CAS RN: 131563-03-6
CAS Name: 4-methyl-6,11-dihydro-3H-pyrimido[4,5-b][1,5]benzodiazepine-2,5-dione
OPENEYE Name: 4-methyl-6,11-dihydro-3H-pyrimido[4,5-b][1,5]benzodiazepine-2,5-dione
IUPAC Name: 4-methyl-6,11-dihydro-3H-pyrimido[4,5-b][1,5]benzodiazepine-2,5-dione
SYSTEMATIC NAME: 4-methyl-6,11-dihydro-3H-pyrimido[4,5-b][1,5]benzodiazepine-2,5-dione
MOLECULAR FORMULA: C12H10N4O2
MOLECULAR WEIGHT: 242.2334
SMILES: CC1=C2C(=NC(=O)N1)NC3=CC=CC=C3NC2=O
Structure:
CAS RN: 131549-85-4
CAS Name: N-(5-methyl-3-isoxazolyl)-4-nitrosobenzenesulfonamide
OPENEYE Name: N-(5-methylisoxazol-3-yl)-4-nitroso-benzenesulfonamide
IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-4-nitrosobenzenesulfonamide
SYSTEMATIC NAME: N-(5-methyl-1,2-oxazol-3-yl)-4-nitroso-benzenesulfonamide
MOLECULAR FORMULA: C10H9N3O4S
MOLECULAR WEIGHT: 267.26116
SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N=O
Structure:
CAS RN: 131545-71-6
CAS Name: 3-(12,12,13,13,14,14,15,15,15-nonafluoropentadecyl)benzene-1,2-diol
OPENEYE Name: 3-(12,12,13,13,14,14,15,15,15-nonafluoropentadecyl)benzene-1,2-diol
IUPAC Name: 3-(12,12,13,13,14,14,15,15,15-nonafluoropentadecyl)benzene-1,2-diol
SYSTEMATIC NAME: 3-[12,12,13,13,14,14,15,15,15-nonakis(fluoranyl)pentadecyl]benzene-1,2-diol
MOLECULAR FORMULA: C21H27F9O2
MOLECULAR WEIGHT: 482.423509
SMILES: C1=CC(=C(C(=C1)O)O)CCCCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 131545-70-5
CAS Name: 3-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecyl)benzene-1,2-diol
OPENEYE Name: 3-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecyl)benzene-1,2-diol
IUPAC Name: 3-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecyl)benzene-1,2-diol
SYSTEMATIC NAME: 3-[6,6,7,7,8,8,9,9,10,10,11,11,11-tridecakis(fluoranyl)undecyl]benzene-1,2-diol
MOLECULAR FORMULA: C17H15F13O2
MOLECULAR WEIGHT: 498.279042
SMILES: C1=CC(=C(C(=C1)O)O)CCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 131544-74-6
CAS Name: 1-[(1S,3R)-2,2-dichloro-1,3-diphenylcyclopropyl]-4-methoxybenzene
OPENEYE Name: 1-[(1S,3R)-2,2-dichloro-1,3-diphenyl-cyclopropyl]-4-methoxy-benzene
IUPAC Name: 1-[(1S,3R)-2,2-dichloro-1,3-diphenylcyclopropyl]-4-methoxybenzene
SYSTEMATIC NAME: 1-[(1S,3R)-2,2-bis(chloranyl)-1,3-diphenyl-cyclopropyl]-4-methoxy-benzene
MOLECULAR FORMULA: C22H18Cl2O
MOLECULAR WEIGHT: 369.28372
SMILES: COC1=CC=C(C=C1)[C@]2([C@H](C2(Cl)Cl)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 129932-88-3
CAS Name: 5-acetamido-2,3-bis(fluoranyl)-4,6,7,8,9-pentahydroxynonanoic acid
OPENEYE Name: 5-acetamido-2,3-bis(fluoranyl)-4,6,7,8,9-pentahydroxy-nonanoic acid
IUPAC Name: 5-acetamido-2,3-bis(fluoranyl)-4,6,7,8,9-pentahydroxynonanoic acid
SYSTEMATIC NAME: 5-acetamido-2,3-bis(fluoranyl)-4,6,7,8,9-pentakis(oxidanyl)nonanoic acid
MOLECULAR FORMULA: C11H19F2NO8
MOLECULAR WEIGHT: 329.272335
SMILES: CC(=O)NC(C(C(C(CO)O)O)O)C(C(C(C(=O)O)[18F])[18F])O
Structure:
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