CAS RN: 13726-52-8
CAS Name: 2-[[(4-aminophenyl)-oxomethyl]amino]pentanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[(4-aminobenzoyl)amino]pentanedioate
IUPAC Name: diethyl 2-[(4-aminobenzoyl)amino]pentanedioate
SYSTEMATIC NAME: diethyl 2-[(4-aminophenyl)carbonylamino]pentanedioate
MOLECULAR FORMULA: C16H22N2O5
MOLECULAR WEIGHT: 322.35628
SMILES: CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N
Structure:
CAS RN: 100-35-6
CAS Name: acetic acid [(2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl] ester
OPENEYE Name: [(2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethyl] acetate
IUPAC Name: [(2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl] acetate
SYSTEMATIC NAME: [(2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethyl] ethanoate
MOLECULAR FORMULA: C23H34O6
MOLECULAR WEIGHT: 406.51246
SMILES: CC(=O)OC[C@@H]([C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O)O
Structure:
CAS RN: 75042-08-9
CAS Name: acetic acid [2-[(4R,5S,8S,9S,10R,13S,14S,17R)-4-bromo-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(4R,5S,8S,9S,10R,13S,14S,17R)-4-bromo-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
IUPAC Name: [2-[(4R,5S,8S,9S,10R,13S,14S,17R)-4-bromo-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[(4R,5S,8S,9S,10R,13S,14S,17R)-4-bromanyl-10,13-dimethyl-17-oxidanyl-3,11-bis(oxidanylidene)-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C23H31BrO6
MOLECULAR WEIGHT: 483.39264
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)[C@@H]4Br)C)C)O
Structure:
CAS RN: 57490-81-0
CAS Name: (3S,5S,8S,9S,10S,13S,14S,17R)-17-acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
OPENEYE Name: (3S,5S,8S,9S,10S,13S,14S,17R)-17-acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
IUPAC Name: (3S,5S,8S,9S,10S,13S,14S,17R)-17-acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
SYSTEMATIC NAME: (3S,5S,8S,9S,10S,13S,14S,17R)-17-ethanoyl-10,13-dimethyl-3,17-bis(oxidanyl)-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
MOLECULAR FORMULA: C21H32O4
MOLECULAR WEIGHT: 348.47638
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O
Structure:
CAS RN: 600-59-9
CAS Name: 17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
OPENEYE Name: 17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
IUPAC Name: 17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
SYSTEMATIC NAME: 17-ethanoyl-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
MOLECULAR FORMULA: C21H32O3
MOLECULAR WEIGHT: 332.47698
SMILES: CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C
Structure:
CAS RN: 28925-00-0
CAS Name: acetic acid [(2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl] ester
OPENEYE Name: [(2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethyl] acetate
IUPAC Name: [(2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl] acetate
SYSTEMATIC NAME: [(2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethyl] ethanoate
MOLECULAR FORMULA: C23H32O6
MOLECULAR WEIGHT: 404.49658
SMILES: CC(=O)OC[C@@H]([C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O)O
Structure:
CAS RN: 50528-73-9
CAS Name: 1-isocyanato-4-phenylmethoxybenzene
OPENEYE Name: 1-benzyloxy-4-isocyanato-benzene
IUPAC Name: 1-isocyanato-4-phenylmethoxybenzene
SYSTEMATIC NAME: 1-isocyanato-4-phenylmethoxy-benzene
MOLECULAR FORMULA: C14H11NO2
MOLECULAR WEIGHT: 225.24264
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)N=C=O
Structure:
CAS RN: 2273-78-1
CAS Name: 2-(6-amino-3-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(6-aminopurin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(6-aminopurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(6-azanylpurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1=NC2=C(N=CN(C2=N1)C3C(C(C(O3)CO)O)O)N
Structure:
CAS RN: 14365-78-7
CAS Name: 2-(6-amino-3-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(6-aminopurin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(6-aminopurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(6-azanylpurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1=NC2=C(N=CN(C2=N1)C3C(C(C(O3)CO)O)O)N
Structure:
CAS RN: 5997-74-0
CAS Name: 4-[2-(4-nitrophenyl)ethenyl]-2-oxidocinnolin-2-ium
OPENEYE Name: 4-[2-(4-nitrophenyl)vinyl]-2-oxido-cinnolin-2-ium
IUPAC Name: 4-[2-(4-nitrophenyl)ethenyl]-2-oxidocinnolin-2-ium
SYSTEMATIC NAME: 4-[2-(4-nitrophenyl)ethenyl]-2-oxidanidyl-cinnolin-2-ium
MOLECULAR FORMULA: C16H11N3O3
MOLECULAR WEIGHT: 293.27684
SMILES: C1=CC=C2C(=C1)C(=C[N+](=N2)[O-])C=CC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 88511-72-2
CAS Name: [1,2,4]triazolo[4,3-b]pyridazin-7-amine
OPENEYE Name: [1,2,4]triazolo[4,3-b]pyridazin-7-amine
IUPAC Name: [1,2,4]triazolo[4,3-b]pyridazin-7-amine
SYSTEMATIC NAME: [1,2,4]triazolo[4,3-b]pyridazin-7-amine
MOLECULAR FORMULA: C5H5N5
MOLECULAR WEIGHT: 135.1267
SMILES: C1=C(C=NN2C1=NN=C2)N
Structure:
CAS RN: 90586-17-7
CAS Name: 8-chloro-7-tetrazolo[1,5-b]pyridazinamine
OPENEYE Name: 8-chlorotetrazolo[1,5-b]pyridazin-7-amine
IUPAC Name: 8-chlorotetrazolo[1,5-b]pyridazin-7-amine
SYSTEMATIC NAME: 8-chloranyl-[1,2,3,4]tetrazolo[1,5-b]pyridazin-7-amine
MOLECULAR FORMULA: C4H3ClN6
MOLECULAR WEIGHT: 170.55982
SMILES: C1=NN2C(=NN=N2)C(=C1N)Cl
Structure:
CAS RN: 18671-95-9
CAS Name: 6-chloroquinazoline-2,4-diamine
OPENEYE Name: 6-chloroquinazoline-2,4-diamine
IUPAC Name: 6-chloroquinazoline-2,4-diamine
SYSTEMATIC NAME: 6-chloranylquinazoline-2,4-diamine
MOLECULAR FORMULA: C8H7ClN4
MOLECULAR WEIGHT: 194.62098
SMILES: C1=CC2=C(C=C1Cl)C(=NC(=N2)N)N
Structure:
CAS RN: 915402-35-6
CAS Name: 6-chloroquinazoline-2,4-diamine
OPENEYE Name: 6-chloroquinazoline-2,4-diamine
IUPAC Name: 6-chloroquinazoline-2,4-diamine
SYSTEMATIC NAME: 6-chloranylquinazoline-2,4-diamine
MOLECULAR FORMULA: C8H7ClN4
MOLECULAR WEIGHT: 194.62098
SMILES: C1=CC2=C(C=C1Cl)C(=NC(=N2)N)N
Structure:
CAS RN: 1489-06-1
CAS Name: 5,6-diphenyl-2,3-dihydropyrazine
OPENEYE Name: 5,6-diphenyl-2,3-dihydropyrazine
IUPAC Name: 5,6-diphenyl-2,3-dihydropyrazine
SYSTEMATIC NAME: 5,6-diphenyl-2,3-dihydropyrazine
MOLECULAR FORMULA: C16H14N2
MOLECULAR WEIGHT: 234.29576
SMILES: C1CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 204660-15-1
CAS Name: 2-[[bis(2-hydroxyethyl)amino]methylidene]propanedinitrile
OPENEYE Name: 2-[[bis(2-hydroxyethyl)amino]methylene]propanedinitrile
IUPAC Name: 2-[[bis(2-hydroxyethyl)amino]methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[[bis(2-hydroxyethyl)amino]methylidene]propanedinitrile
MOLECULAR FORMULA: C8H11N3O2
MOLECULAR WEIGHT: 181.19184
SMILES: C(CO)N(CCO)C=C(C#N)C#N
Structure:
CAS RN: 100707-39-9
CAS Name: 5-bromo-2-methyl-4-pyrimidinecarboxylic acid
OPENEYE Name: 5-bromo-2-methyl-pyrimidine-4-carboxylic acid
IUPAC Name: 5-bromo-2-methylpyrimidine-4-carboxylic acid
SYSTEMATIC NAME: 5-bromanyl-2-methyl-pyrimidine-4-carboxylic acid
MOLECULAR FORMULA: C6H5BrN2O2
MOLECULAR WEIGHT: 217.0201
SMILES: CC1=NC=C(C(=N1)C(=O)O)Br
Structure:
CAS RN: 3222-49-9
CAS Name: 5-methyl-3-pyridinecarboxylic acid
OPENEYE Name: 5-methylpyridine-3-carboxylic acid
IUPAC Name: 5-methylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 5-methylpyridine-3-carboxylic acid
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: CC1=CN=CC(=C1)C(=O)O
Structure:
CAS RN: 2852-31-5
CAS Name: 2-[2-amino-6-(phenylmethylthio)-9-purinyl]ethanol
OPENEYE Name: 2-(2-amino-6-benzylsulfanyl-purin-9-yl)ethanol
IUPAC Name: 2-(2-amino-6-benzylsulfanylpurin-9-yl)ethanol
SYSTEMATIC NAME: 2-[2-azanyl-6-(phenylmethylsulfanyl)purin-9-yl]ethanol
MOLECULAR FORMULA: C14H15N5OS
MOLECULAR WEIGHT: 301.3668
SMILES: C1=CC=C(C=C1)CSC2=NC(=NC3=C2N=CN3CCO)N
Structure:
CAS RN: 90991-26-7
CAS Name: 1-(5,6-dimethyl-1-benzotriazolyl)ethanone
OPENEYE Name: 1-(5,6-dimethylbenzotriazol-1-yl)ethanone
IUPAC Name: 1-(5,6-dimethylbenzotriazol-1-yl)ethanone
SYSTEMATIC NAME: 1-(5,6-dimethylbenzotriazol-1-yl)ethanone
MOLECULAR FORMULA: C10H11N3O
MOLECULAR WEIGHT: 189.21384
SMILES: CC1=CC2=C(C=C1C)N(N=N2)C(=O)C
Structure:
CAS RN: 106199-90-0
CAS Name: 1-[bis(4-methylphenyl)phosphoryl-(4-methylphenyl)phosphoryl]-4-methylbenzene
OPENEYE Name: 1-[bis-p-tolylphosphoryl(p-tolyl)phosphoryl]-4-methyl-benzene
IUPAC Name: 1-[bis(4-methylphenyl)phosphoryl-(4-methylphenyl)phosphoryl]-4-methylbenzene
SYSTEMATIC NAME: 1-[bis(4-methylphenyl)phosphoryl-(4-methylphenyl)phosphoryl]-4-methyl-benzene
MOLECULAR FORMULA: C28H28O2P2
MOLECULAR WEIGHT: 458.468242
SMILES: CC1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)C)P(=O)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C
Structure:
CAS RN: 20669-05-0
CAS Name: [4-[[4,6-diamino-2-(methylthio)-5-pyrimidinyl]azo]phenyl]arsonic acid
OPENEYE Name: [4-(4,6-diamino-2-methylsulfanyl-pyrimidin-5-yl)azophenyl]arsonic acid
IUPAC Name: [4-[(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)diazenyl]phenyl]arsonic acid
SYSTEMATIC NAME: [4-[[4,6-bis(azanyl)-2-methylsulfanyl-pyrimidin-5-yl]diazenyl]phenyl]arsonic acid
MOLECULAR FORMULA: C11H13AsN6O3S
MOLECULAR WEIGHT: 384.24592
SMILES: CSC1=NC(=C(C(=N1)N)N=NC2=CC=C(C=C2)[As](=O)(O)O)N
Structure:
CAS RN: 3866-79-3
CAS Name: 1-methyl-4-[3-[(4-methylphenyl)sulfonylthio]propylthio]sulfonylbenzene
OPENEYE Name: 1-methyl-4-[3-(p-tolylsulfonylsulfanyl)propylsulfanylsulfonyl]benzene
IUPAC Name: 1-methyl-4-[3-(4-methylphenyl)sulfonylsulfanylpropylsulfanylsulfonyl]benzene
SYSTEMATIC NAME: 1-methyl-4-[3-(4-methylphenyl)sulfonylsulfanylpropylsulfanylsulfonyl]benzene
MOLECULAR FORMULA: C17H20O4S4
MOLECULAR WEIGHT: 416.5983
SMILES: CC1=CC=C(C=C1)S(=O)(=O)SCCCSS(=O)(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 6971-11-5
CAS Name: (2S,5R,6R)-6-[[(1-aminocyclopentyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[(1-aminocyclopentanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[(1-aminocyclopentanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[(1-azanylcyclopentyl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C14H21N3O4S
MOLECULAR WEIGHT: 327.39924
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3(CCCC3)N)C(=O)O)C
Structure:
CAS RN: 3485-08-3
CAS Name: (2S,5R,6R)-6-[[(1-aminocyclopentyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[(1-aminocyclopentanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[(1-aminocyclopentanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[(1-azanylcyclopentyl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C14H21N3O4S
MOLECULAR WEIGHT: 327.39924
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3(CCCC3)N)C(=O)O)C
Structure:
CAS RN: 18106-71-3
CAS Name: dimethoxyphosphoryl(phenyl)methanone
OPENEYE Name: dimethoxyphosphoryl(phenyl)methanone
IUPAC Name: dimethoxyphosphoryl(phenyl)methanone
SYSTEMATIC NAME: dimethoxyphosphoryl(phenyl)methanone
MOLECULAR FORMULA: C9H11O4P
MOLECULAR WEIGHT: 214.155001
SMILES: COP(=O)(C(=O)C1=CC=CC=C1)OC
Structure:
CAS RN: 84-21-9
CAS Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] dihydrogen phosphate
OPENEYE Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
IUPAC Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
SYSTEMATIC NAME: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
MOLECULAR FORMULA: C10H14N5O7P
MOLECULAR WEIGHT: 347.221221
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)OP(=O)(O)O)O
Structure:
CAS RN: 76765-79-2
CAS Name: 2-(9H-fluoren-9-yl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(9H-fluoren-9-yl)propanedioate
IUPAC Name: diethyl 2-(9H-fluoren-9-yl)propanedioate
SYSTEMATIC NAME: diethyl 2-(9H-fluoren-9-yl)propanedioate
MOLECULAR FORMULA: C20H20O4
MOLECULAR WEIGHT: 324.3704
SMILES: CCOC(=O)C(C1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OCC
Structure:
CAS RN: 79873-93-1
CAS Name: 2-fluoro-N-(2-fluoroethyl)-N-(4-nitrophenyl)azoethanamine
OPENEYE Name: 2-fluoro-N-(2-fluoroethyl)-N-(4-nitrophenyl)azo-ethanamine
IUPAC Name: 2-fluoro-N-(2-fluoroethyl)-N-[(4-nitrophenyl)diazenyl]ethanamine
SYSTEMATIC NAME: 2-fluoranyl-N-(2-fluoranylethyl)-N-[(4-nitrophenyl)diazenyl]ethanamine
MOLECULAR FORMULA: C10H12F2N4O2
MOLECULAR WEIGHT: 258.224686
SMILES: C1=CC(=CC=C1N=NN(CCF)CCF)[N+](=O)[O-]
Structure:
CAS RN: 23432-40-8
CAS Name: 6-methyl-1H-quinolin-4-one
OPENEYE Name: 6-methyl-1H-quinolin-4-one
IUPAC Name: 6-methyl-1H-quinolin-4-one
SYSTEMATIC NAME: 6-methyl-1H-quinolin-4-one
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: CC1=CC2=C(C=C1)NC=CC2=O
Structure:
CAS RN: 38104-47-1
CAS Name: 1-(diethylamino)-3-pentanone
OPENEYE Name: 1-(diethylamino)pentan-3-one
IUPAC Name: 1-(diethylamino)pentan-3-one
SYSTEMATIC NAME: 1-(diethylamino)pentan-3-one
MOLECULAR FORMULA: C9H19NO
MOLECULAR WEIGHT: 157.25326
SMILES: CCC(=O)CCN(CC)CC
Structure:
CAS RN: 66944-58-9
CAS Name: (1R,2S,4R)-4,7,7-trimethyl-2-nitro-3-bicyclo[2.2.1]heptanone
OPENEYE Name: (1R,3S,4R)-1,7,7-trimethyl-3-nitro-norbornan-2-one
IUPAC Name: (1R,2S,4R)-4,7,7-trimethyl-2-nitrobicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: (1R,2S,4R)-4,7,7-trimethyl-2-nitro-bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: C[C@@]12CC[C@H](C1(C)C)[C@@H](C2=O)[N+](=O)[O-]
Structure:
CAS RN: 2044-73-7
CAS Name: 2-pyridinylmethanethiol
OPENEYE Name: 2-pyridylmethanethiol
IUPAC Name: pyridin-2-ylmethanethiol
SYSTEMATIC NAME: pyridin-2-ylmethanethiol
MOLECULAR FORMULA: C6H7NS
MOLECULAR WEIGHT: 125.19148
SMILES: C1=CC=NC(=C1)CS
Structure:
CAS RN: 5337-51-9
CAS Name: (2,5-dimethylphenyl)-phenylmethanone
OPENEYE Name: (2,5-dimethylphenyl)-phenyl-methanone
IUPAC Name: (2,5-dimethylphenyl)-phenylmethanone
SYSTEMATIC NAME: (2,5-dimethylphenyl)-phenyl-methanone
MOLECULAR FORMULA: C15H14O
MOLECULAR WEIGHT: 210.27106
SMILES: CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 2609-49-6
CAS Name: 1-(diethoxyphosphorylmethyl)-4-nitrobenzene
OPENEYE Name: 1-(diethoxyphosphorylmethyl)-4-nitro-benzene
IUPAC Name: 1-(diethoxyphosphorylmethyl)-4-nitrobenzene
SYSTEMATIC NAME: 1-(diethoxyphosphorylmethyl)-4-nitro-benzene
MOLECULAR FORMULA: C11H16NO5P
MOLECULAR WEIGHT: 273.222201
SMILES: CCOP(=O)(CC1=CC=C(C=C1)[N+](=O)[O-])OCC
Structure:
CAS RN: 57402-83-2
CAS Name: methanesulfonic acid 2-[3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl ester
OPENEYE Name: 2-[3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate
IUPAC Name: 2-[3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate
SYSTEMATIC NAME: 2-[(3-methylphenyl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate
MOLECULAR FORMULA: C13H21NO6S2
MOLECULAR WEIGHT: 351.43894
SMILES: CC1=CC(=CC=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C
Structure:
CAS RN: 15356-72-6
CAS Name: 4-methylbenzenesulfonic acid 2-[4-methyl-N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl ester
OPENEYE Name: 2-[4-methyl-N-[2-(p-tolylsulfonyloxy)ethyl]anilino]ethyl 4-methylbenzenesulfonate
IUPAC Name: 2-[4-methyl-N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2-[(4-methylphenyl)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C25H29NO6S2
MOLECULAR WEIGHT: 503.63086
SMILES: CC1=CC=C(C=C1)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)CCOS(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 5168-36-5
CAS Name: 5-hydroxy-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-hydroxy-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-hydroxy-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-oxidanyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H12N2O6
MOLECULAR WEIGHT: 244.20138
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)O)CO)O
Structure:
CAS RN: 59256-46-1
CAS Name: 4-(2-hydroxyanilino)-4-oxo-2-butenoic acid
OPENEYE Name: 4-(2-hydroxyanilino)-4-oxo-but-2-enoic acid
IUPAC Name: 4-(2-hydroxyanilino)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: 4-[(2-hydroxyphenyl)amino]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C10H9NO4
MOLECULAR WEIGHT: 207.18276
SMILES: C1=CC=C(C(=C1)NC(=O)C=CC(=O)O)O
Structure:
CAS RN: 1024-99-3
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-iodopyrimidine-2,4-dione
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-dione
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-iodanyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11IN2O6
MOLECULAR WEIGHT: 370.09791
SMILES: C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)I
Structure:
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