CAS RN: 14151-19-0
CAS Name: 7-amino-6-methoxyquinoline-5,8-dione
OPENEYE Name: 7-amino-6-methoxy-quinoline-5,8-dione
IUPAC Name: 7-amino-6-methoxyquinoline-5,8-dione
SYSTEMATIC NAME: 7-azanyl-6-methoxy-quinoline-5,8-dione
MOLECULAR FORMULA: C10H8N2O3
MOLECULAR WEIGHT: 204.18212
SMILES: COC1=C(C(=O)C2=C(C1=O)C=CC=N2)N
Structure:
CAS RN: 65185-82-2
CAS Name: 7-aminoquinoline-5,8-dione
OPENEYE Name: 7-aminoquinoline-5,8-dione
IUPAC Name: 7-aminoquinoline-5,8-dione
SYSTEMATIC NAME: 7-azanylquinoline-5,8-dione
MOLECULAR FORMULA: C9H6N2O2
MOLECULAR WEIGHT: 174.15614
SMILES: C1=CC2=C(C(=O)C(=CC2=O)N)N=C1
Structure:
CAS RN: 67380-50-1
CAS Name: 7-methoxyquinoline-5,8-dione
OPENEYE Name: 7-methoxyquinoline-5,8-dione
IUPAC Name: 7-methoxyquinoline-5,8-dione
SYSTEMATIC NAME: 7-methoxyquinoline-5,8-dione
MOLECULAR FORMULA: C10H7NO3
MOLECULAR WEIGHT: 189.16748
SMILES: COC1=CC(=O)C2=C(C1=O)N=CC=C2
Structure:
CAS RN: 97339-24-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H8N2O2
MOLECULAR WEIGHT: 248.23622
SMILES: C1=CC=C2C(=C1)C3=C(C(=O)C2=O)N4C=CC=CC4=N3
Structure:
CAS RN: 17702-83-9
CAS Name: 2-(8-bromooctyl)isoindole-1,3-dione
OPENEYE Name: 2-(8-bromooctyl)isoindoline-1,3-dione
IUPAC Name: 2-(8-bromooctyl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(8-bromanyloctyl)isoindole-1,3-dione
MOLECULAR FORMULA: C16H20BrNO2
MOLECULAR WEIGHT: 338.2395
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCBr
Structure:
CAS RN: 3277-59-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26N2
MOLECULAR WEIGHT: 294.43384
SMILES: CN1C2=CC=CC=C2C3=C1[C@@H]4C[C@@H]5CCCC[C@H]5CN4CC3
Structure:
CAS RN: 5428-93-3
CAS Name: 1,2-dihydropyrimido[5,4-e][1,2,4]triazine-3,5-dione
OPENEYE Name: 1,2-dihydropyrimido[5,4-e][1,2,4]triazine-3,5-dione
IUPAC Name: 1,2-dihydropyrimido[5,4-e][1,2,4]triazine-3,5-dione
SYSTEMATIC NAME: 1,2-dihydropyrimido[5,4-e][1,2,4]triazine-3,5-dione
MOLECULAR FORMULA: C5H3N5O2
MOLECULAR WEIGHT: 165.10962
SMILES: C1=NC(=O)C2=NC(=O)NNC2=N1
Structure:
CAS RN: 15830-52-1
CAS Name: acetic acid [3,4-diacetyloxy-5-(6-aminopurin-9-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H19N5O7
MOLECULAR WEIGHT: 393.35136
SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OC(=O)C)OC(=O)C
Structure:
CAS RN: 15830-77-0
CAS Name: acetic acid [3,4-diacetyloxy-5-(6-aminopurin-9-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H19N5O7
MOLECULAR WEIGHT: 393.35136
SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OC(=O)C)OC(=O)C
Structure:
CAS RN: 7433-86-5
CAS Name: acetic acid [3,4-diacetyloxy-5-(6-aminopurin-9-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H19N5O7
MOLECULAR WEIGHT: 393.35136
SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OC(=O)C)OC(=O)C
Structure:
CAS RN: 1586-47-6
CAS Name: 2-[2-(1H-indol-3-yl)ethenyl]quinoline
OPENEYE Name: 2-[2-(1H-indol-3-yl)vinyl]quinoline
IUPAC Name: 2-[2-(1H-indol-3-yl)ethenyl]quinoline
SYSTEMATIC NAME: 2-[2-(1H-indol-3-yl)ethenyl]quinoline
MOLECULAR FORMULA: C19H14N2
MOLECULAR WEIGHT: 270.32786
SMILES: C1=CC=C2C(=C1)C=CC(=N2)C=CC3=CNC4=CC=CC=C43
Structure:
CAS RN: 602-04-0
CAS Name: 3-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
OPENEYE Name: 3-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
IUPAC Name: 3-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SYSTEMATIC NAME: 3-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
MOLECULAR FORMULA: C28H25N3
MOLECULAR WEIGHT: 403.5182
SMILES: CC1=C(C2=CC=CC=C2N1)C(C3=C(NC4=CC=CC=C43)C)C5=C(NC6=CC=CC=C65)C
Structure:
CAS RN: 525-58-6
CAS Name: 2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole
OPENEYE Name: 2-methyl-3-[(2-methyl-1H-indol-3-yl)methylene]indole
IUPAC Name: 2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole
SYSTEMATIC NAME: 2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole
MOLECULAR FORMULA: C19H16N2
MOLECULAR WEIGHT: 272.34374
SMILES: CC1=C(C2=CC=CC=C2N1)C=C3C(=NC4=CC=CC=C43)C
Structure:
CAS RN: 20062-22-0
CAS Name: 1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethenyl]benzene
OPENEYE Name: 1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)vinyl]benzene
IUPAC Name: 1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethenyl]benzene
SYSTEMATIC NAME: 1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethenyl]benzene
MOLECULAR FORMULA: C14H6N6O12
MOLECULAR WEIGHT: 450.23044
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])C=CC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 25300-04-3
CAS Name: 1-[2-(2,4-dinitrophenyl)ethyl]-2,4-dinitrobenzene
OPENEYE Name: 1-[2-(2,4-dinitrophenyl)ethyl]-2,4-dinitro-benzene
IUPAC Name: 1-[2-(2,4-dinitrophenyl)ethyl]-2,4-dinitrobenzene
SYSTEMATIC NAME: 1-[2-(2,4-dinitrophenyl)ethyl]-2,4-dinitro-benzene
MOLECULAR FORMULA: C14H10N4O8
MOLECULAR WEIGHT: 362.2512
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 73356-11-3
CAS Name: 2-anilino-1,2-bis(4-methoxyphenyl)ethanone
OPENEYE Name: 2-anilino-1,2-bis(4-methoxyphenyl)ethanone
IUPAC Name: 2-anilino-1,2-bis(4-methoxyphenyl)ethanone
SYSTEMATIC NAME: 1,2-bis(4-methoxyphenyl)-2-phenylazanyl-ethanone
MOLECULAR FORMULA: C22H21NO3
MOLECULAR WEIGHT: 347.40704
SMILES: COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)NC3=CC=CC=C3
Structure:
CAS RN: 22862-76-6
CAS Name: acetic acid [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]-3-pyrrolidinyl] ester
OPENEYE Name: [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate
IUPAC Name: [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate
SYSTEMATIC NAME: [(2R,3S,4S)-2-[(4-methoxyphenyl)methyl]-4-oxidanyl-pyrrolidin-3-yl] ethanoate
MOLECULAR FORMULA: C14H19NO4
MOLECULAR WEIGHT: 265.30496
SMILES: CC(=O)O[C@@H]1[C@H](CN[C@@H]1CC2=CC=C(C=C2)OC)O
Structure:
CAS RN: 5029-31-2
CAS Name: 4,4-dinitropentanoic acid
OPENEYE Name: 4,4-dinitropentanoic acid
IUPAC Name: 4,4-dinitropentanoic acid
SYSTEMATIC NAME: 4,4-dinitropentanoic acid
MOLECULAR FORMULA: C5H8N2O6
MOLECULAR WEIGHT: 192.12682
SMILES: CC(CCC(=O)O)([N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 101084-39-3
CAS Name: 3-bromo-2-methoxybenzoic acid
OPENEYE Name: 3-bromo-2-methoxy-benzoic acid
IUPAC Name: 3-bromo-2-methoxybenzoic acid
SYSTEMATIC NAME: 3-bromanyl-2-methoxy-benzoic acid
MOLECULAR FORMULA: C8H7BrO3
MOLECULAR WEIGHT: 231.04338
SMILES: COC1=C(C=CC=C1Br)C(=O)O
Structure:
CAS RN: 34701-14-9
CAS Name: 4-nitro-2,3-dihydro-1H-indene
OPENEYE Name: 4-nitroindane
IUPAC Name: 4-nitro-2,3-dihydro-1H-indene
SYSTEMATIC NAME: 4-nitro-2,3-dihydro-1H-indene
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: C1CC2=C(C1)C(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 15833-00-8
CAS Name: 2-(2-aminophenyl)-2-propanol
OPENEYE Name: 2-(2-aminophenyl)propan-2-ol
IUPAC Name: 2-(2-aminophenyl)propan-2-ol
SYSTEMATIC NAME: 2-(2-aminophenyl)propan-2-ol
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: CC(C)(C1=CC=CC=C1N)O
Structure:
CAS RN: 401-30-9
CAS Name: 1-methyl-[1,2,4]triazolo[4,3-a]quinoline
OPENEYE Name: 1-methyl-[1,2,4]triazolo[4,3-a]quinoline
IUPAC Name: 1-methyl-[1,2,4]triazolo[4,3-a]quinoline
SYSTEMATIC NAME: 1-methyl-[1,2,4]triazolo[4,3-a]quinoline
MOLECULAR FORMULA: C11H9N3
MOLECULAR WEIGHT: 183.20926
SMILES: CC1=NN=C2N1C3=CC=CC=C3C=C2
Structure:
CAS RN: 54589-65-0
CAS Name: 6-hydrazinyl-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-hydrazino-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-hydrazinyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-diazanyl-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C15H15N7
MOLECULAR WEIGHT: 293.3265
SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)NN)NC3=CC=CC=C3
Structure:
CAS RN: 61786-77-4
CAS Name: 1-(2-chloroethyl)-3-nitroso-2-imidazolidinone
OPENEYE Name: 1-(2-chloroethyl)-3-nitroso-imidazolidin-2-one
IUPAC Name: 1-(2-chloroethyl)-3-nitrosoimidazolidin-2-one
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-nitroso-imidazolidin-2-one
MOLECULAR FORMULA: C5H8ClN3O2
MOLECULAR WEIGHT: 177.58892
SMILES: C1CN(C(=O)N1CCCl)N=O
Structure:
CAS RN: 6270-37-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H40N2O8
MOLECULAR WEIGHT: 580.6686
SMILES: CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1CO)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
Structure:
CAS RN: 22454-89-3
CAS Name: (4-chlorobutylthio)cyclohexane
OPENEYE Name: 4-chlorobutylsulfanylcyclohexane
IUPAC Name: 4-chlorobutylsulfanylcyclohexane
SYSTEMATIC NAME: 4-chloranylbutylsulfanylcyclohexane
MOLECULAR FORMULA: C10H19ClS
MOLECULAR WEIGHT: 206.77586
SMILES: C1CCC(CC1)SCCCCCl
Structure:
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