CAS RN: 131134-90-2
CAS Name: 5-(4-iodophenyl)sulfonyl-1-methyl-4-nitroimidazole
OPENEYE Name: 5-(4-iodophenyl)sulfonyl-1-methyl-4-nitro-imidazole
IUPAC Name: 5-(4-iodophenyl)sulfonyl-1-methyl-4-nitroimidazole
SYSTEMATIC NAME: 5-(4-iodophenyl)sulfonyl-1-methyl-4-nitro-imidazole
MOLECULAR FORMULA: C10H8IN3O4S
MOLECULAR WEIGHT: 393.15769
SMILES: CN1C=NC(=C1S(=O)(=O)C2=CC=C(C=C2)I)[N+](=O)[O-]
Structure:
CAS RN: 131124-59-9
CAS Name: 4-[(2-formyl-3-quinolinyl)-oxomethyl]benzoic acid
OPENEYE Name: 4-(2-formylquinoline-3-carbonyl)benzoic acid
IUPAC Name: 4-(2-formylquinoline-3-carbonyl)benzoic acid
SYSTEMATIC NAME: 4-(2-methanoylquinolin-3-yl)carbonylbenzoic acid
MOLECULAR FORMULA: C18H11NO4
MOLECULAR WEIGHT: 305.28424
SMILES: C1=CC=C2C(=C1)C=C(C(=N2)C=O)C(=O)C3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 131068-51-4
CAS Name: 3-[(3-mercapto-3-methyl-1-oxobutyl)amino]propanoic acid
OPENEYE Name: 3-[(3-methyl-3-sulfanyl-butanoyl)amino]propanoic acid
IUPAC Name: 3-[(3-methyl-3-sulfanylbutanoyl)amino]propanoic acid
SYSTEMATIC NAME: 3-[(3-methyl-3-sulfanyl-butanoyl)amino]propanoic acid
MOLECULAR FORMULA: C8H15NO3S
MOLECULAR WEIGHT: 205.2746
SMILES: CC(C)(CC(=O)NCCC(=O)O)S
Structure:
CAS RN: 131063-65-5
CAS Name: 2-[2-amino-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-[2-amino-3,4-dihydroxy-5-(hydroxymethyl)cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-[2-amino-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-[2-azanyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C13H25NO9
MOLECULAR WEIGHT: 339.3389
SMILES: C1C(C(C(C(C1OC2C(C(C(C(O2)CO)O)O)O)N)O)O)CO
Structure:
CAS RN: 131060-07-6
CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-6-methoxybenzamide
OPENEYE Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxy-benzamide
IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide
SYSTEMATIC NAME: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-6-oxidanyl-benzamide
MOLECULAR FORMULA: C15H22N2O3
MOLECULAR WEIGHT: 278.34678
SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC=C2OC)O
Structure:
CAS RN: 131025-31-5
CAS Name: 2-amino-3-(4-aminophenyl)-N-phenylpropanamide
OPENEYE Name: 2-amino-3-(4-aminophenyl)-N-phenyl-propanamide
IUPAC Name: 2-amino-3-(4-aminophenyl)-N-phenylpropanamide
SYSTEMATIC NAME: 3-(4-aminophenyl)-2-azanyl-N-phenyl-propanamide
MOLECULAR FORMULA: C15H17N3O
MOLECULAR WEIGHT: 255.31498
SMILES: C1=CC=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)N)N
Structure:
CAS RN: 131023-43-3
CAS Name: 2-(9H-carbazol-1-yl)acetic acid
OPENEYE Name: 2-(9H-carbazol-1-yl)acetic acid
IUPAC Name: 2-(9H-carbazol-1-yl)acetic acid
SYSTEMATIC NAME: 2-(9H-carbazol-1-yl)ethanoic acid
MOLECULAR FORMULA: C14H11NO2
MOLECULAR WEIGHT: 225.24264
SMILES: C1=CC=C2C(=C1)C3=C(N2)C(=CC=C3)CC(=O)O
Structure:
CAS RN: 130993-62-3
CAS Name: (5S,10R,13R,14S)-14-hydroxy-13-methyl-1,7,17-trioxo-3,4,5,6,11,12,15,16-octahydro-2H-cyclopenta[a]phenanthrene-10-carboxylic acid methyl ester
OPENEYE Name: methyl (5S,10R,13R,14S)-14-hydroxy-13-methyl-1,7,17-trioxo-3,4,5,6,11,12,15,16-octahydro-2H-cyclopenta[a]phenanthrene-10-carboxylate
IUPAC Name: methyl (5S,10R,13R,14S)-14-hydroxy-13-methyl-1,7,17-trioxo-3,4,5,6,11,12,15,16-octahydro-2H-cyclopenta[a]phenanthrene-10-carboxylate
SYSTEMATIC NAME: methyl (5S,10R,13R,14S)-13-methyl-14-oxidanyl-1,7,17-tris(oxidanylidene)-3,4,5,6,11,12,15,16-octahydro-2H-cyclopenta[a]phenanthrene-10-carboxylate
MOLECULAR FORMULA: C20H24O6
MOLECULAR WEIGHT: 360.40096
SMILES: C[C@@]12CCC3=C([C@@]1(CCC2=O)O)C(=O)C[C@H]4[C@@]3(C(=O)CCC4)C(=O)OC
Structure:
CAS RN: 130985-18-1
CAS Name: (2S,5R)-2-amino-6-(carboxymethylamino)-5-hydroxyhexanoic acid
OPENEYE Name: (2S,5R)-2-amino-6-(carboxymethylamino)-5-hydroxy-hexanoic acid
IUPAC Name: (2S,5R)-2-amino-6-(carboxymethylamino)-5-hydroxyhexanoic acid
SYSTEMATIC NAME: (2S,5R)-2-azanyl-6-(2-hydroxy-2-oxoethylamino)-5-oxidanyl-hexanoic acid
MOLECULAR FORMULA: C8H16N2O5
MOLECULAR WEIGHT: 220.22304
SMILES: C(C[C@@H](C(=O)O)N)[C@H](CNCC(=O)O)O
Structure:
CAS RN: 130971-02-7
CAS Name: [(2R)-2-hydroxy-3-oxobutyl] dihydrogen phosphate
OPENEYE Name: [(2R)-2-hydroxy-3-oxo-butyl] dihydrogen phosphate
IUPAC Name: [(2R)-2-hydroxy-3-oxobutyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2R)-2-oxidanyl-3-oxidanylidene-butyl] dihydrogen phosphate
MOLECULAR FORMULA: C4H9O6P
MOLECULAR WEIGHT: 184.084421
SMILES: CC(=O)[C@@H](COP(=O)(O)O)O
Structure:
CAS RN: 130942-94-8
CAS Name: 2-(5-phenazin-5-iumyl)ethanol
OPENEYE Name: 2-phenazin-5-ium-5-ylethanol
IUPAC Name: 2-phenazin-5-ium-5-ylethanol
SYSTEMATIC NAME: 2-phenazin-5-ium-5-ylethanol
MOLECULAR FORMULA: C14H13N2O+
MOLECULAR WEIGHT: 225.26582
SMILES: C1=CC=C2C(=C1)N=C3C=CC=CC3=[N+]2CCO
Structure:
CAS RN: 130835-20-0
CAS Name: (4S)-4-amino-2,2-difluoropentanedioic acid
OPENEYE Name: (4S)-4-amino-2,2-difluoro-pentanedioic acid
IUPAC Name: (4S)-4-amino-2,2-difluoropentanedioic acid
SYSTEMATIC NAME: (4S)-4-azanyl-2,2-bis(fluoranyl)pentanedioic acid
MOLECULAR FORMULA: C5H7F2NO4
MOLECULAR WEIGHT: 183.110186
SMILES: C([C@@H](C(=O)O)N)C(C(=O)O)(F)F
Structure:
CAS RN: 130689-92-8
CAS Name: 2,6-dichloro-4-(3,4,5-trichlorophenyl)phenol
OPENEYE Name: 2,6-dichloro-4-(3,4,5-trichlorophenyl)phenol
IUPAC Name: 2,6-dichloro-4-(3,4,5-trichlorophenyl)phenol
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3,4,5-tris(chloranyl)phenyl]phenol
MOLECULAR FORMULA: C12H5Cl5O
MOLECULAR WEIGHT: 342.4325
SMILES: C1=C(C=C(C(=C1Cl)O)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl
Structure:
CAS RN: 130607-26-0
CAS Name: (1R,2S,3R,5S)-1,2-dihydroxy-3-(hydroxymethyl)-4-oxa-7,9-diazaspiro[4.4]nonane-6,8-dione
OPENEYE Name: (1R,2S,3R,5S)-1,2-dihydroxy-3-(hydroxymethyl)-4-oxa-7,9-diazaspiro[4.4]nonane-6,8-dione
IUPAC Name: (1R,2S,3R,5S)-1,2-dihydroxy-3-(hydroxymethyl)-4-oxa-7,9-diazaspiro[4.4]nonane-6,8-dione
SYSTEMATIC NAME: (1R,2S,3R,5S)-3-(hydroxymethyl)-1,2-bis(oxidanyl)-4-oxa-7,9-diazaspiro[4.4]nonane-6,8-dione
MOLECULAR FORMULA: C7H10N2O6
MOLECULAR WEIGHT: 218.1641
SMILES: C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)O
Structure:
CAS RN: 130571-36-7
CAS Name: acetic acid [(1R,5S,6R)-8-azabicyclo[3.2.1]octan-6-yl] ester
OPENEYE Name: [(1R,5S,6R)-8-azabicyclo[3.2.1]octan-6-yl] acetate
IUPAC Name: [(1R,5S,6R)-8-azabicyclo[3.2.1]octan-6-yl] acetate
SYSTEMATIC NAME: [(1R,5S,6R)-8-azabicyclo[3.2.1]octan-6-yl] ethanoate
MOLECULAR FORMULA: C9H15NO2
MOLECULAR WEIGHT: 169.2209
SMILES: CC(=O)O[C@@H]1C[C@H]2CCC[C@@H]1N2
Structure:
CAS RN: 130571-37-8
CAS Name: acetic acid [(1R,5S,6R)-8-azabicyclo[3.2.1]octan-6-yl] ester
OPENEYE Name: [(1R,5S,6R)-8-azabicyclo[3.2.1]octan-6-yl] acetate
IUPAC Name: [(1R,5S,6R)-8-azabicyclo[3.2.1]octan-6-yl] acetate
SYSTEMATIC NAME: [(1R,5S,6R)-8-azabicyclo[3.2.1]octan-6-yl] ethanoate
MOLECULAR FORMULA: C9H15NO2
MOLECULAR WEIGHT: 169.2209
SMILES: CC(=O)O[C@@H]1C[C@H]2CCC[C@@H]1N2
Structure:
CAS RN: 130525-62-1
CAS Name: (2R,4S)-3-acetamido-4-amino-2-[(1S,2S)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
OPENEYE Name: (2R,4S)-3-acetamido-4-amino-2-[(1S,2S)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
IUPAC Name: (2R,4S)-3-acetamido-4-amino-2-[(1S,2S)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
SYSTEMATIC NAME: (2R,4S)-3-acetamido-4-azanyl-2-[(1S,2S)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
MOLECULAR FORMULA: C11H18N2O7
MOLECULAR WEIGHT: 290.26982
SMILES: CC(=O)NC1[C@H](C=C(O[C@H]1[C@H]([C@H](CO)O)O)C(=O)O)N
Structure:
CAS RN: 130521-05-0
CAS Name: 2-amino-3,3-difluoropentanedioic acid
OPENEYE Name: 2-amino-3,3-difluoro-pentanedioic acid
IUPAC Name: 2-amino-3,3-difluoropentanedioic acid
SYSTEMATIC NAME: 2-azanyl-3,3-bis(fluoranyl)pentanedioic acid
MOLECULAR FORMULA: C5H7F2NO4
MOLECULAR WEIGHT: 183.110186
SMILES: C(C(=O)O)C(C(C(=O)O)N)(F)F
Structure:
CAS RN: 130518-26-2
CAS Name: N-[(1,3-dioxo-2-indenylidene)methylamino]-N-methylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-[(1,3-dioxoindan-2-ylidene)methylamino]-N-methyl-carbamate
IUPAC Name: ethyl N-[(1,3-dioxoinden-2-ylidene)methylamino]-N-methylcarbamate
SYSTEMATIC NAME: ethyl N-[[1,3-bis(oxidanylidene)inden-2-ylidene]methylamino]-N-methyl-carbamate
MOLECULAR FORMULA: C14H14N2O4
MOLECULAR WEIGHT: 274.27196
SMILES: CCOC(=O)N(C)NC=C1C(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 130482-32-5
CAS Name: 1-(4-isothiocyanato-2-nitrophenyl)imidazole
OPENEYE Name: 1-(4-isothiocyanato-2-nitro-phenyl)imidazole
IUPAC Name: 1-(4-isothiocyanato-2-nitrophenyl)imidazole
SYSTEMATIC NAME: 1-(4-isothiocyanato-2-nitro-phenyl)imidazole
MOLECULAR FORMULA: C10H6N4O2S
MOLECULAR WEIGHT: 246.24524
SMILES: C1=CC(=C(C=C1N=C=S)[N+](=O)[O-])N2C=CN=C2
Structure:
CAS RN: 130378-89-1
CAS Name: 1-[(1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)-1-cyclopent-2-enyl]-2-hydroxy-4-pyridinone
OPENEYE Name: 1-[(1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-2-hydroxy-pyridin-4-one
IUPAC Name: 1-[(1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-2-hydroxypyridin-4-one
SYSTEMATIC NAME: 1-[(1R,4R,5S)-3-(hydroxymethyl)-4,5-bis(oxidanyl)cyclopent-2-en-1-yl]-2-oxidanyl-pyridin-4-one
MOLECULAR FORMULA: C11H13NO5
MOLECULAR WEIGHT: 239.22462
SMILES: C1=CN(C(=CC1=O)O)[C@@H]2C=C([C@H]([C@H]2O)O)CO
Structure:
CAS RN: 130378-88-0
CAS Name: 4-amino-1-[(4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)-1-cyclopent-2-enyl]-2-pyridinone
OPENEYE Name: 4-amino-1-[(4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyridin-2-one
IUPAC Name: 4-amino-1-[(4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyridin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[(4R,5S)-3-(hydroxymethyl)-4,5-bis(oxidanyl)cyclopent-2-en-1-yl]pyridin-2-one
MOLECULAR FORMULA: C11H14N2O4
MOLECULAR WEIGHT: 238.23986
SMILES: C1=CN(C(=O)C=C1N)C2C=C([C@H]([C@H]2O)O)CO
Structure:
CAS RN: 130342-81-3
CAS Name: (1S,3S,4S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester
OPENEYE Name: methyl (1S,3S,4S,5R)-8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name: methyl (1S,3S,4S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: methyl (1S,3S,4S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: CC1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C
Structure:
CAS RN: 130306-98-8
CAS Name: (4R)-4-amino-5-mercaptopentanoic acid
OPENEYE Name: (4R)-4-amino-5-sulfanyl-pentanoic acid
IUPAC Name: (4R)-4-amino-5-sulfanylpentanoic acid
SYSTEMATIC NAME: (4R)-4-azanyl-5-sulfanyl-pentanoic acid
MOLECULAR FORMULA: C5H11NO2S
MOLECULAR WEIGHT: 149.21134
SMILES: C(CC(=O)O)[C@H](CS)N
Structure:
CAS RN: 130272-67-2
CAS Name: (2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
OPENEYE Name: (2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]tetrahydropyran-2,3,4,5-tetrol
IUPAC Name: (2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (2S,3S,4S,5S,6R)-6-[(1S)-1,2-bis(oxidanyl)ethyl]oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C7H14O7
MOLECULAR WEIGHT: 210.18186
SMILES: C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O
Structure:
CAS RN: 130262-94-1
CAS Name: 2-[(4-isothiocyanatophenyl)methyl]-4,5-dihydro-1H-imidazole
OPENEYE Name: 2-[(4-isothiocyanatophenyl)methyl]-4,5-dihydro-1H-imidazole
IUPAC Name: 2-[(4-isothiocyanatophenyl)methyl]-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-[(4-isothiocyanatophenyl)methyl]-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C11H11N3S
MOLECULAR WEIGHT: 217.29014
SMILES: C1CN=C(N1)CC2=CC=C(C=C2)N=C=S
Structure:
CAS RN: 130247-40-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H14BrNO2S
MOLECULAR WEIGHT: 282.194284
SMILES: [2H]SCC(C(=O)O)N.[2H]Br.C1=CC=CC=C1
Structure:
CAS RN: 130203-73-5
CAS Name: N-(2-hydroxybutyl)-2,2-diphenylacetamide
OPENEYE Name: N-(2-hydroxybutyl)-2,2-diphenyl-acetamide
IUPAC Name: N-(2-hydroxybutyl)-2,2-diphenylacetamide
SYSTEMATIC NAME: N-(2-oxidanylbutyl)-2,2-diphenyl-ethanamide
MOLECULAR FORMULA: C18H21NO2
MOLECULAR WEIGHT: 283.36484
SMILES: CCC(CNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)O
Structure:
CAS RN: 58-86-6
CAS Name: (2R,3R,4S,5R)-oxane-2,3,4,5-tetrol
OPENEYE Name: (2R,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol
IUPAC Name: (2R,3R,4S,5R)-oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (2R,3R,4S,5R)-oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C5H10O5
MOLECULAR WEIGHT: 150.1299
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
Structure:
CAS RN: 130168-14-8
CAS Name: 3-iodo-2,4-dimethoxybenzoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 3-iodo-2,4-dimethoxy-benzoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-iodo-2,4-dimethoxybenzoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 3-iodanyl-2,4-dimethoxy-benzoate
MOLECULAR FORMULA: C13H12INO6
MOLECULAR WEIGHT: 405.14195
SMILES: COC1=C(C(=C(C=C1)C(=O)ON2C(=O)CCC2=O)OC)I
Structure:
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