CAS RN: 99968-83-9
CAS Name: 3-amino-4-iodophenol
OPENEYE Name: 3-amino-4-iodo-phenol
IUPAC Name: 3-amino-4-iodophenol
SYSTEMATIC NAME: 3-azanyl-4-iodanyl-phenol
MOLECULAR FORMULA: C6H6INO
MOLECULAR WEIGHT: 235.02241
SMILES: C1=CC(=C(C=C1O)N)I
CAS RN: 4726-01-6
CAS Name: N,N-dimethyl-1-phenylmethanesulfinamide
OPENEYE Name: N,N-dimethyl-1-phenyl-methanesulfinamide
IUPAC Name: N,N-dimethyl-1-phenylmethanesulfinamide
SYSTEMATIC NAME: N,N-dimethyl-1-phenyl-methanesulfinamide
MOLECULAR FORMULA: C9H13NOS
MOLECULAR WEIGHT: 183.27062
SMILES: CN(C)S(=O)CC1=CC=CC=C1
CAS RN: 465531-97-9
CAS Name: 2,4,6-triamino-5-pyrimidinecarbonitrile
OPENEYE Name: 2,4,6-triaminopyrimidine-5-carbonitrile
IUPAC Name: 2,4,6-triaminopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 2,4,6-tris(azanyl)pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C5H6N6
MOLECULAR WEIGHT: 150.14134
SMILES: C(#N)C1=C(N=C(N=C1N)N)N
CAS RN: 126496-79-5
CAS Name: aziridine-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester
OPENEYE Name: O2-tert-butyl O1-methyl aziridine-1,2-dicarboxylate
IUPAC Name: 2-O-tert-butyl 1-O-methyl aziridine-1,2-dicarboxylate
SYSTEMATIC NAME: O2-tert-butyl O1-methyl aziridine-1,2-dicarboxylate
MOLECULAR FORMULA: C9H15NO4
MOLECULAR WEIGHT: 201.2197
SMILES: CC(C)(C)OC(=O)C1CN1C(=O)OC
CAS RN: 169674-00-4
CAS Name: 6-chloro-5-fluoro-1H-indole-2-carboxylic acid methyl ester
OPENEYE Name: methyl 6-chloro-5-fluoro-1H-indole-2-carboxylate
IUPAC Name: methyl 6-chloro-5-fluoro-1H-indole-2-carboxylate
SYSTEMATIC NAME: methyl 6-chloranyl-5-fluoranyl-1H-indole-2-carboxylate
MOLECULAR FORMULA: C10H7ClFNO2
MOLECULAR WEIGHT: 227.619483
SMILES: COC(=O)C1=CC2=CC(=C(C=C2N1)Cl)F
CAS RN: 914637-58-4
CAS Name: 3,5-dihydro-2H-imidazo[1,2-b]pyrazole-6-carboxylic acid
OPENEYE Name: 3,5-dihydro-2H-imidazo[1,2-b]pyrazole-6-carboxylic acid
IUPAC Name: 3,5-dihydro-2H-imidazo[1,2-b]pyrazole-6-carboxylic acid
SYSTEMATIC NAME: 3,5-dihydro-2H-imidazo[1,2-b]pyrazole-6-carboxylic acid
MOLECULAR FORMULA: C6H7N3O2
MOLECULAR WEIGHT: 153.13868
SMILES: C1CN2C(=N1)C=C(N2)C(=O)O
CAS RN: 183245-00-3
CAS Name: 1,3-difluoropropylbenzene
OPENEYE Name: 1,3-difluoropropylbenzene
IUPAC Name: 1,3-difluoropropylbenzene
SYSTEMATIC NAME: 1,3-bis(fluoranyl)propylbenzene
MOLECULAR FORMULA: C9H10F2
MOLECULAR WEIGHT: 156.172506
SMILES: C1=CC=C(C=C1)C(CCF)F
CAS RN: 811471-07-5
CAS Name: 3-ethyl-1H-imidazol-3-ium; 2,2,2-trifluoroacetate
OPENEYE Name: 3-ethyl-1H-imidazol-3-ium; 2,2,2-trifluoroacetate
IUPAC Name: 3-ethyl-1H-imidazol-3-ium; 2,2,2-trifluoroacetate
SYSTEMATIC NAME: 3-ethyl-1H-imidazol-3-ium; 2,2,2-tris(fluoranyl)ethanoate
MOLECULAR FORMULA: C7H9F3N2O2
MOLECULAR WEIGHT: 210.15377
SMILES: CC[N+]1=CNC=C1.C(=O)(C(F)(F)F)[O-]
CAS RN: 7699-17-4
CAS Name: 4-methyldioxy-1H-indole
OPENEYE Name: 4-methylperoxy-1H-indole
IUPAC Name: 4-methylperoxy-1H-indole
SYSTEMATIC NAME: 4-methylperoxy-1H-indole
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: COOC1=CC=CC2=C1C=CN2
CAS RN: 71294-07-0
CAS Name: hypofluorous acid (5-fluoro-1H-indol-6-yl) ester
OPENEYE Name: (5-fluoro-1H-indol-6-yl) hypofluorite
IUPAC Name: (5-fluoro-1H-indol-6-yl) hypofluorite
SYSTEMATIC NAME: (5-fluoranyl-1H-indol-6-yl) hypofluorite
MOLECULAR FORMULA: C8H5F2NO
MOLECULAR WEIGHT: 169.128206
SMILES: C1=CNC2=CC(=C(C=C21)F)OF
CAS RN: 359821-39-9
CAS Name: 2-amino-N-cyclobutylacetamide
OPENEYE Name: 2-amino-N-cyclobutyl-acetamide
IUPAC Name: 2-amino-N-cyclobutylacetamide
SYSTEMATIC NAME: 2-azanyl-N-cyclobutyl-ethanamide
MOLECULAR FORMULA: C6H12N2O
MOLECULAR WEIGHT: 128.17228
SMILES: C1CC(C1)NC(=O)CN
CAS RN: 304445-49-6
CAS Name: 6-acetyl-3-bromo-2-fluoro-1-cyclohexa-2,4-dienone
OPENEYE Name: 6-acetyl-3-bromo-2-fluoro-cyclohexa-2,4-dien-1-one
IUPAC Name: 6-acetyl-3-bromo-2-fluorocyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 3-bromanyl-6-ethanoyl-2-fluoranyl-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C8H6BrFO2
MOLECULAR WEIGHT: 233.034443
SMILES: CC(=O)C1C=CC(=C(C1=O)F)Br
CAS RN: 21962-47-0
CAS Name: 2-formyl-5-methoxybenzonitrile
OPENEYE Name: 2-formyl-5-methoxy-benzonitrile
IUPAC Name: 2-formyl-5-methoxybenzonitrile
SYSTEMATIC NAME: 2-methanoyl-5-methoxy-benzenecarbonitrile
MOLECULAR FORMULA: C9H7NO2
MOLECULAR WEIGHT: 161.15738
SMILES: COC1=CC(=C(C=C1)C=O)C#N
CAS RN: 1036757-40-0
CAS Name: 3-amino-5-fluorobenzamide
OPENEYE Name: 3-amino-5-fluoro-benzamide
IUPAC Name: 3-amino-5-fluorobenzamide
SYSTEMATIC NAME: 3-azanyl-5-fluoranyl-benzamide
MOLECULAR FORMULA: C7H7FN2O
MOLECULAR WEIGHT: 154.141683
SMILES: C1=C(C=C(C=C1N)F)C(=O)N
CAS RN: 932372-99-1
CAS Name: 2-bromo-5-iodophenol
OPENEYE Name: 2-bromo-5-iodo-phenol
IUPAC Name: 2-bromo-5-iodophenol
SYSTEMATIC NAME: 2-bromanyl-5-iodanyl-phenol
MOLECULAR FORMULA: C6H4BrIO
MOLECULAR WEIGHT: 298.90383
SMILES: C1=CC(=C(C=C1I)O)Br
CAS RN: 769944-72-1
CAS Name: 3-(4-bromophenyl)piperidine
OPENEYE Name: 3-(4-bromophenyl)piperidine
IUPAC Name: 3-(4-bromophenyl)piperidine
SYSTEMATIC NAME: 3-(4-bromophenyl)piperidine
MOLECULAR FORMULA: C11H14BrN
MOLECULAR WEIGHT: 240.13956
SMILES: C1CC(CNC1)C2=CC=C(C=C2)Br
CAS RN: 133081-25-1
CAS Name: 2-hydrazinyl-6-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyridinecarboxylic acid
OPENEYE Name: 6-tert-butoxycarbonyl-2-hydrazino-pyridine-3-carboxylic acid
IUPAC Name: 2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-diazanyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
MOLECULAR FORMULA: C11H15N3O4
MOLECULAR WEIGHT: 253.2545
SMILES: CC(C)(C)OC(=O)C1=NC(=C(C=C1)C(=O)O)NN
CAS RN: 2941-58-4
CAS Name: hypobromous acid 1,3-benzothiazol-2-ylmethyl ester
OPENEYE Name: 1,3-benzothiazol-2-ylmethyl hypobromite
IUPAC Name: 1,3-benzothiazol-2-ylmethyl hypobromite
SYSTEMATIC NAME: 1,3-benzothiazol-2-ylmethyl hypobromite
MOLECULAR FORMULA: C8H6BrNOS
MOLECULAR WEIGHT: 244.10834
SMILES: C1=CC=C2C(=C1)N=C(S2)COBr
CAS RN: 109555-87-5
CAS Name: 1,2-dihydronaphthalen-1-yl(1H-indol-3-yl)methanone
OPENEYE Name: 1,2-dihydronaphthalen-1-yl(1H-indol-3-yl)methanone
IUPAC Name: 1,2-dihydronaphthalen-1-yl(1H-indol-3-yl)methanone
SYSTEMATIC NAME: 1,2-dihydronaphthalen-1-yl(1H-indol-3-yl)methanone
MOLECULAR FORMULA: C19H15NO
MOLECULAR WEIGHT: 273.3285
SMILES: C1C=CC2=CC=CC=C2C1C(=O)C3=CNC4=CC=CC=C43
CAS RN: 356532-64-4
CAS Name: N-(2-phenoxyethyl)cyclohexanamine
OPENEYE Name: N-(2-phenoxyethyl)cyclohexanamine
IUPAC Name: N-(2-phenoxyethyl)cyclohexanamine
SYSTEMATIC NAME: N-(2-phenoxyethyl)cyclohexanamine
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: C1CCC(CC1)NCCOC2=CC=CC=C2
CAS RN: 383129-21-3
CAS Name: 2-(3-chlorophenyl)azepane hydrochloride
OPENEYE Name: 2-(3-chlorophenyl)azepane hydrochloride
IUPAC Name: 2-(3-chlorophenyl)azepane hydrochloride
SYSTEMATIC NAME: 2-(3-chlorophenyl)azepane hydrochloride
MOLECULAR FORMULA: C12H17Cl2N
MOLECULAR WEIGHT: 246.17608
SMILES: C1CCC(NCC1)C2=CC(=CC=C2)Cl.Cl
CAS RN: 1240616-87-8
CAS Name: 2-bromo-6-chloroquinoxaline
OPENEYE Name: 2-bromo-6-chloro-quinoxaline
IUPAC Name: 2-bromo-6-chloroquinoxaline
SYSTEMATIC NAME: 2-bromanyl-6-chloranyl-quinoxaline
MOLECULAR FORMULA: C8H4BrClN2
MOLECULAR WEIGHT: 243.48776
SMILES: C1=CC2=NC(=CN=C2C=C1Cl)Br
CAS RN: 1240621-90-2
CAS Name: 6-bromo-2-(trifluoromethyl)quinoxaline
OPENEYE Name: 6-bromo-2-(trifluoromethyl)quinoxaline
IUPAC Name: 6-bromo-2-(trifluoromethyl)quinoxaline
SYSTEMATIC NAME: 6-bromanyl-2-(trifluoromethyl)quinoxaline
MOLECULAR FORMULA: C9H4BrF3N2
MOLECULAR WEIGHT: 277.04067
SMILES: C1=CC2=NC(=CN=C2C=C1Br)C(F)(F)F
CAS RN: 1240621-89-9
CAS Name: 6-bromo-2-methoxyquinoxaline
OPENEYE Name: 6-bromo-2-methoxy-quinoxaline
IUPAC Name: 6-bromo-2-methoxyquinoxaline
SYSTEMATIC NAME: 6-bromanyl-2-methoxy-quinoxaline
MOLECULAR FORMULA: C9H7BrN2O
MOLECULAR WEIGHT: 239.06868
SMILES: COC1=CN=C2C=C(C=CC2=N1)Br
CAS RN: 440672-64-0
CAS Name: 1-(3-chloro-2-pyrazinyl)-1-butanol
OPENEYE Name: 1-(3-chloropyrazin-2-yl)butan-1-ol
IUPAC Name: 1-(3-chloropyrazin-2-yl)butan-1-ol
SYSTEMATIC NAME: 1-(3-chloranylpyrazin-2-yl)butan-1-ol
MOLECULAR FORMULA: C8H11ClN2O
MOLECULAR WEIGHT: 186.63874
SMILES: CCCC(C1=NC=CN=C1Cl)O
CAS RN: 1008505-37-0
CAS Name: 6-pyridin-4-yl-2-quinazolinamine
OPENEYE Name: 6-(4-pyridyl)quinazolin-2-amine
IUPAC Name: 6-pyridin-4-ylquinazolin-2-amine
SYSTEMATIC NAME: 6-pyridin-4-ylquinazolin-2-amine
MOLECULAR FORMULA: C13H10N4
MOLECULAR WEIGHT: 222.2453
SMILES: C1=CC2=NC(=NC=C2C=C1C3=CC=NC=C3)N
CAS RN: 159693-09-1
CAS Name: 3-(4-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid methyl ester
OPENEYE Name: methyl 3-(4-fluorophenyl)-5-methyl-isoxazole-4-carboxylate
IUPAC Name: methyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SYSTEMATIC NAME: methyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
MOLECULAR FORMULA: C12H10FNO3
MOLECULAR WEIGHT: 235.211103
SMILES: CC1=C(C(=NO1)C2=CC=C(C=C2)F)C(=O)OC
CAS RN: 758709-88-5
CAS Name: 2-(4-chloro-2-pyridinyl)-1,3,4-oxadiazole
OPENEYE Name: 2-(4-chloro-2-pyridyl)-1,3,4-oxadiazole
IUPAC Name: 2-(4-chloropyridin-2-yl)-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(4-chloranylpyridin-2-yl)-1,3,4-oxadiazole
MOLECULAR FORMULA: C7H4ClN3O
MOLECULAR WEIGHT: 181.57916
SMILES: C1=CN=C(C=C1Cl)C2=NN=CO2
CAS RN: 933190-51-3
CAS Name: 8-bromo-6-chloroimidazo[1,2-b]pyridazine
OPENEYE Name: 8-bromo-6-chloro-imidazo[1,2-b]pyridazine
IUPAC Name: 8-bromo-6-chloroimidazo[1,2-b]pyridazine
SYSTEMATIC NAME: 8-bromanyl-6-chloranyl-imidazo[1,2-b]pyridazine
MOLECULAR FORMULA: C6H3BrClN3
MOLECULAR WEIGHT: 232.46512
SMILES: C1=CN2C(=N1)C(=CC(=N2)Cl)Br
CAS RN: 1123783-95-8
CAS Name: 1-amino-2-(4-fluorophenyl)-7-methyl-6-purinone
OPENEYE Name: 1-amino-2-(4-fluorophenyl)-7-methyl-purin-6-one
IUPAC Name: 1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one
SYSTEMATIC NAME: 1-azanyl-2-(4-fluorophenyl)-7-methyl-purin-6-one
MOLECULAR FORMULA: C12H10FN5O
MOLECULAR WEIGHT: 259.239103
SMILES: CN1C=NC2=C1C(=O)N(C(=N2)C3=CC=C(C=C3)F)N
CAS RN: 1123783-93-6
CAS Name: 4-fluoro-N-[5-(hydrazinecarbonyl)-1-methyl-4-imidazolyl]benzamide
OPENEYE Name: 4-fluoro-N-[5-(hydrazinecarbonyl)-1-methyl-imidazol-4-yl]benzamide
IUPAC Name: 4-fluoro-N-[5-(hydrazinecarbonyl)-1-methylimidazol-4-yl]benzamide
SYSTEMATIC NAME: N-[5-(aminocarbamoyl)-1-methyl-imidazol-4-yl]-4-fluoranyl-benzamide
MOLECULAR FORMULA: C12H12FN5O2
MOLECULAR WEIGHT: 277.254383
SMILES: CN1C=NC(=C1C(=O)NN)NC(=O)C2=CC=C(C=C2)F
CAS RN: 1123783-90-3
CAS Name: 5-(4-fluorophenyl)-1-methyl-7-imidazo[4,5-d][1,3]oxazinone
OPENEYE Name: 5-(4-fluorophenyl)-1-methyl-imidazo[4,5-d][1,3]oxazin-7-one
IUPAC Name: 5-(4-fluorophenyl)-1-methylimidazo[4,5-d][1,3]oxazin-7-one
SYSTEMATIC NAME: 5-(4-fluorophenyl)-1-methyl-imidazo[4,5-d][1,3]oxazin-7-one
MOLECULAR FORMULA: C12H8FN3O2
MOLECULAR WEIGHT: 245.209223
SMILES: CN1C=NC2=C1C(=O)OC(=N2)C3=CC=C(C=C3)F
CAS RN: 1124194-70-2
CAS Name: 2-chloro-1,7-naphthyridine-3-carboxylic acid methyl ester
OPENEYE Name: methyl 2-chloro-1,7-naphthyridine-3-carboxylate
IUPAC Name: methyl 2-chloro-1,7-naphthyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2-chloranyl-1,7-naphthyridine-3-carboxylate
MOLECULAR FORMULA: C10H7ClN2O2
MOLECULAR WEIGHT: 222.62778
SMILES: COC(=O)C1=C(N=C2C=NC=CC2=C1)Cl
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