CAS RN: 915402-37-8
CAS Name: 8-(trifluoromethyl)quinazoline-2,4-diamine
OPENEYE Name: 8-(trifluoromethyl)quinazoline-2,4-diamine
IUPAC Name: 8-(trifluoromethyl)quinazoline-2,4-diamine
SYSTEMATIC NAME: 8-(trifluoromethyl)quinazoline-2,4-diamine
MOLECULAR FORMULA: C9H7F3N4
MOLECULAR WEIGHT: 228.17389
SMILES: C1=CC2=C(C(=C1)C(F)(F)F)N=C(N=C2N)N
Structure:
CAS RN: 143982-54-1
CAS Name: 3-bromo-2-imidazo[1,2-a]pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate
IUPAC Name: ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate
SYSTEMATIC NAME: ethyl 3-bromanylimidazo[1,2-a]pyridine-2-carboxylate
MOLECULAR FORMULA: C10H9BrN2O2
MOLECULAR WEIGHT: 269.09466
SMILES: CCOC(=O)C1=C(N2C=CC=CC2=N1)Br
Structure:
CAS RN: 7299-93-6
CAS Name: benzene-1,2-dicarboxylic acid O2-butyl ester O1-ethyl ester
OPENEYE Name: O2-butyl O1-ethyl benzene-1,2-dicarboxylate
IUPAC Name: 2-O-butyl 1-O-ethyl benzene-1,2-dicarboxylate
SYSTEMATIC NAME: O2-butyl O1-ethyl benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C14H18O4
MOLECULAR WEIGHT: 250.29032
SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)OCC
Structure:
CAS RN: 927800-55-3
CAS Name: 4-chloro-6-(trifluoromethoxy)quinoline
OPENEYE Name: 4-chloro-6-(trifluoromethoxy)quinoline
IUPAC Name: 4-chloro-6-(trifluoromethoxy)quinoline
SYSTEMATIC NAME: 4-chloranyl-6-(trifluoromethyloxy)quinoline
MOLECULAR FORMULA: C10H5ClF3NO
MOLECULAR WEIGHT: 247.60101
SMILES: C1=CC2=NC=CC(=C2C=C1OC(F)(F)F)Cl
Structure:
CAS RN: 288151-31-5
CAS Name: 4-chloro-6,8-difluoro-2-methylquinoline
OPENEYE Name: 4-chloro-6,8-difluoro-2-methyl-quinoline
IUPAC Name: 4-chloro-6,8-difluoro-2-methylquinoline
SYSTEMATIC NAME: 4-chloranyl-6,8-bis(fluoranyl)-2-methyl-quinoline
MOLECULAR FORMULA: C10H6ClF2N
MOLECULAR WEIGHT: 213.611146
SMILES: CC1=NC2=C(C=C(C=C2C(=C1)Cl)F)F
Structure:
CAS RN: 7327-58-4
CAS Name: 1-chloro-2-ethenylsulfonylethane
OPENEYE Name: 1-chloro-2-vinylsulfonyl-ethane
IUPAC Name: 1-chloro-2-ethenylsulfonylethane
SYSTEMATIC NAME: 1-chloranyl-2-ethenylsulfonyl-ethane
MOLECULAR FORMULA: C4H7ClO2S
MOLECULAR WEIGHT: 154.61518
SMILES: C=CS(=O)(=O)CCCl
Structure:
CAS RN: 23570-20-9
CAS Name: copper; 1H-imidazole
OPENEYE Name: copper; imidazole
IUPAC Name: copper; 1H-imidazole
SYSTEMATIC NAME: copper; 1H-imidazole
MOLECULAR FORMULA: C12H16CuN8
MOLECULAR WEIGHT: 335.85504
SMILES: C1=CN=CN1.C1=CN=CN1.C1=CN=CN1.C1=CN=CN1.[Cu]
Structure:
CAS RN: 142449-75-0
CAS Name: N-[bis(methylthio)methylidene]-1-methoxy-3-indolecarboxamide
OPENEYE Name: N-[bis(methylsulfanyl)methylene]-1-methoxy-indole-3-carboxamide
IUPAC Name: N-[bis(methylsulfanyl)methylidene]-1-methoxyindole-3-carboxamide
SYSTEMATIC NAME: N-[bis(methylsulfanyl)methylidene]-1-methoxy-indole-3-carboxamide
MOLECULAR FORMULA: C13H14N2O2S2
MOLECULAR WEIGHT: 294.39246
SMILES: CON1C=C(C2=CC=CC=C21)C(=O)N=C(SC)SC
Structure:
CAS RN: 52334-79-9
CAS Name: 3-amino-6-methyl-1H-pyridin-2-one
OPENEYE Name: 3-amino-6-methyl-1H-pyridin-2-one
IUPAC Name: 3-amino-6-methyl-1H-pyridin-2-one
SYSTEMATIC NAME: 3-azanyl-6-methyl-1H-pyridin-2-one
MOLECULAR FORMULA: C6H8N2O
MOLECULAR WEIGHT: 124.14052
SMILES: CC1=CC=C(C(=O)N1)N
Structure:
CAS RN: 57470-54-9
CAS Name: 5H-imidazo[1,2-b]pyridazin-6-one
OPENEYE Name: 5H-imidazo[1,2-b]pyridazin-6-one
IUPAC Name: 5H-imidazo[1,2-b]pyridazin-6-one
SYSTEMATIC NAME: 5H-imidazo[1,2-b]pyridazin-6-one
MOLECULAR FORMULA: C6H5N3O
MOLECULAR WEIGHT: 135.1234
SMILES: C1=CC2=NC=CN2NC1=O
Structure:
CAS RN: 138883-20-2
CAS Name: 1,4-diazepane-5-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 1,4-diazepane-5-carboxylate
IUPAC Name: tert-butyl 1,4-diazepane-5-carboxylate
SYSTEMATIC NAME: tert-butyl 1,4-diazepane-5-carboxylate
MOLECULAR FORMULA: C10H20N2O2
MOLECULAR WEIGHT: 200.278
SMILES: CC(C)(C)OC(=O)C1CCNCCN1
Structure:
CAS RN: 138668-08-3
CAS Name: 7-hydroxy-6-nitrooctanoic acid methyl ester
OPENEYE Name: methyl 7-hydroxy-6-nitro-octanoate
IUPAC Name: methyl 7-hydroxy-6-nitrooctanoate
SYSTEMATIC NAME: methyl 6-nitro-7-oxidanyl-octanoate
MOLECULAR FORMULA: C9H17NO5
MOLECULAR WEIGHT: 219.23498
SMILES: CC(C(CCCCC(=O)OC)[N+](=O)[O-])O
Structure:
CAS RN: 110860-60-1
CAS Name: 5-amino-1-methyl-4-pyrazolecarboxylic acid methyl ester
OPENEYE Name: methyl 5-amino-1-methyl-pyrazole-4-carboxylate
IUPAC Name: methyl 5-amino-1-methylpyrazole-4-carboxylate
SYSTEMATIC NAME: methyl 5-azanyl-1-methyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: CN1C(=C(C=N1)C(=O)OC)N
Structure:
CAS RN: 147591-52-4
CAS Name: 1-(1H-indol-5-yl)ethanamine
OPENEYE Name: 1-(1H-indol-5-yl)ethanamine
IUPAC Name: 1-(1H-indol-5-yl)ethanamine
SYSTEMATIC NAME: 1-(1H-indol-5-yl)ethanamine
MOLECULAR FORMULA: C10H12N2
MOLECULAR WEIGHT: 160.21568
SMILES: CC(C1=CC2=C(C=C1)NC=C2)N
Structure:
CAS RN: 94213-68-0
CAS Name: sodium 6-nitro-5-naphtho[2,1-g][1,3]benzodioxolecarboxylate
OPENEYE Name: sodium 6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate
IUPAC Name: sodium 6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate
SYSTEMATIC NAME: sodium 6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate
MOLECULAR FORMULA: C16H8NNaO6
MOLECULAR WEIGHT: 333.22759
SMILES: C1OC2=C(O1)C3=C(C(=C2)C(=O)[O-])C(=CC4=CC=CC=C43)[N+](=O)[O-].[Na+]
Structure:
CAS RN: 136854-22-3
CAS Name: 2,2-difluoropentanoic acid ethyl ester
OPENEYE Name: ethyl 2,2-difluoropentanoate
IUPAC Name: ethyl 2,2-difluoropentanoate
SYSTEMATIC NAME: ethyl 2,2-bis(fluoranyl)pentanoate
MOLECULAR FORMULA: C7H12F2O2
MOLECULAR WEIGHT: 166.165786
SMILES: CCCC(C(=O)OCC)(F)F
Structure:
CAS RN: 93803-27-1
CAS Name: 3-(3-formyl-1-pyridin-1-iumyl)-1-propanesulfonate
OPENEYE Name: 3-(3-formylpyridin-1-ium-1-yl)propane-1-sulfonate
IUPAC Name: 3-(3-formylpyridin-1-ium-1-yl)propane-1-sulfonate
SYSTEMATIC NAME: 3-(3-methanoylpyridin-1-ium-1-yl)propane-1-sulfonate
MOLECULAR FORMULA: C9H11NO4S
MOLECULAR WEIGHT: 229.25294
SMILES: C1=CC(=C[N+](=C1)CCCS(=O)(=O)[O-])C=O
Structure:
CAS RN: 140136-71-6
CAS Name: 1-bromo-2-isothiocyanato-3,5-dimethylbenzene
OPENEYE Name: 1-bromo-2-isothiocyanato-3,5-dimethyl-benzene
IUPAC Name: 1-bromo-2-isothiocyanato-3,5-dimethylbenzene
SYSTEMATIC NAME: 1-bromanyl-2-isothiocyanato-3,5-dimethyl-benzene
MOLECULAR FORMULA: C9H8BrNS
MOLECULAR WEIGHT: 242.13552
SMILES: CC1=CC(=C(C(=C1)Br)N=C=S)C
Structure:
CAS RN: 141034-13-1
CAS Name: [(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
OPENEYE Name: [(1R,2R)-2-hydroxytetralin-1-yl]thiourea
IUPAC Name: [(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
SYSTEMATIC NAME: 1-[(1R,2R)-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
MOLECULAR FORMULA: C11H14N2OS
MOLECULAR WEIGHT: 222.30666
SMILES: C1CC2=CC=CC=C2[C@H]([C@@H]1O)NC(=S)N
Structure:
CAS RN: 149489-32-7
CAS Name: 2-(chloromethyl)-3-fluoropyridine
OPENEYE Name: 2-(chloromethyl)-3-fluoro-pyridine
IUPAC Name: 2-(chloromethyl)-3-fluoropyridine
SYSTEMATIC NAME: 2-(chloromethyl)-3-fluoranyl-pyridine
MOLECULAR FORMULA: C6H5ClFN
MOLECULAR WEIGHT: 145.562003
SMILES: C1=CC(=C(N=C1)CCl)F
Structure:
CAS RN: 133261-11-7
CAS Name: 5-cyclopropyl-2-methyl-3-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-cyclopropyl-2-methyl-pyrazole-3-carboxylate
IUPAC Name: ethyl 5-cyclopropyl-2-methylpyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-cyclopropyl-2-methyl-pyrazole-3-carboxylate
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: CCOC(=O)C1=CC(=NN1C)C2CC2
Structure:
CAS RN: 71084-62-3
CAS Name: 5,14-dimethylnaphtho[1,2-b]phenanthrene
OPENEYE Name: 5,14-dimethylnaphtho[1,2-b]phenanthrene
IUPAC Name: 5,14-dimethylnaphtho[1,2-b]phenanthrene
SYSTEMATIC NAME: 5,14-dimethylnaphtho[1,2-b]phenanthrene
MOLECULAR FORMULA: C24H18
MOLECULAR WEIGHT: 306.39972
SMILES: CC1=CC2=CC3=C(C=CC4=CC=CC=C43)C(=C2C5=CC=CC=C15)C
Structure:
CAS RN: 1976-98-3
CAS Name: 2-(4-hydroxyphenyl)ethyl-trimethylammonium iodide
OPENEYE Name: 2-(4-hydroxyphenyl)ethyl-trimethyl-ammonium iodide
IUPAC Name: 2-(4-hydroxyphenyl)ethyl-trimethylazanium iodide
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)ethyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C11H18INO
MOLECULAR WEIGHT: 307.17119
SMILES: C[N+](C)(C)CCC1=CC=C(C=C1)O.[I-]
Structure:
CAS RN: 74418-15-8
CAS Name: 1-[3-(trifluoromethyl)phenyl]-1,4-diazepane
OPENEYE Name: 1-[3-(trifluoromethyl)phenyl]-1,4-diazepane
IUPAC Name: 1-[3-(trifluoromethyl)phenyl]-1,4-diazepane
SYSTEMATIC NAME: 1-[3-(trifluoromethyl)phenyl]-1,4-diazepane
MOLECULAR FORMULA: C12H15F3N2
MOLECULAR WEIGHT: 244.25611
SMILES: C1CNCCN(C1)C2=CC=CC(=C2)C(F)(F)F
Structure:
CAS RN: 79213-74-4
CAS Name: N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamic acid methyl ester
OPENEYE Name: methyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate
IUPAC Name: methyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate
SYSTEMATIC NAME: methyl N-(6-chloranylsulfonyl-1H-benzimidazol-2-yl)carbamate
MOLECULAR FORMULA: C9H8ClN3O4S
MOLECULAR WEIGHT: 289.69552
SMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)Cl
Structure:
CAS RN: 137040-93-8
CAS Name: 4-bromo-2-phenyl-4-pentenenitrile
OPENEYE Name: 4-bromo-2-phenyl-pent-4-enenitrile
IUPAC Name: 4-bromo-2-phenylpent-4-enenitrile
SYSTEMATIC NAME: 4-bromanyl-2-phenyl-pent-4-enenitrile
MOLECULAR FORMULA: C11H10BrN
MOLECULAR WEIGHT: 236.1078
SMILES: C=C(CC(C#N)C1=CC=CC=C1)Br
Structure:
CAS RN: 88982-82-5
CAS Name: 4-bromo-2-thiazolecarboxylic acid
OPENEYE Name: 4-bromothiazole-2-carboxylic acid
IUPAC Name: 4-bromo-1,3-thiazole-2-carboxylic acid
SYSTEMATIC NAME: 4-bromanyl-1,3-thiazole-2-carboxylic acid
MOLECULAR FORMULA: C4H2BrNO2S
MOLECULAR WEIGHT: 208.03318
SMILES: C1=C(N=C(S1)C(=O)O)Br
Structure:
CAS RN: 138091-80-2
CAS Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-[(4-nitrophenyl)methyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
OPENEYE Name: 8-[4-(4-fluorophenyl)-4-oxo-butyl]-2-[(4-nitrophenyl)methyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
IUPAC Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-[(4-nitrophenyl)methyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
SYSTEMATIC NAME: 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2-[(4-nitrophenyl)methyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
MOLECULAR FORMULA: C30H31FN4O4
MOLECULAR WEIGHT: 530.589943
SMILES: C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-])CCCC(=O)C5=CC=C(C=C5)F
Structure:
CAS RN: 131418-11-6
CAS Name: 2-chloro-N-methyl-4-pyridinecarboxamide
OPENEYE Name: 2-chloro-N-methyl-pyridine-4-carboxamide
IUPAC Name: 2-chloro-N-methylpyridine-4-carboxamide
SYSTEMATIC NAME: 2-chloranyl-N-methyl-pyridine-4-carboxamide
MOLECULAR FORMULA: C7H7ClN2O
MOLECULAR WEIGHT: 170.59628
SMILES: CNC(=O)C1=CC(=NC=C1)Cl
Structure:
CAS RN: 71658-32-7
CAS Name: 2,3-diphenyltetrazol-2-ium chloride
OPENEYE Name: 2,3-diphenyltetrazol-2-ium chloride
IUPAC Name: 2,3-diphenyltetrazol-2-ium chloride
SYSTEMATIC NAME: 2,3-diphenyl-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C13H11ClN4
MOLECULAR WEIGHT: 258.70624
SMILES: C1=CC=C(C=C1)N2N=CN=[N+]2C3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 128942-65-4
CAS Name: 6,7-dimethoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
OPENEYE Name: 6,7-dimethoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
IUPAC Name: 6,7-dimethoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SYSTEMATIC NAME: 6,7-dimethoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
MOLECULAR FORMULA: C18H21NO2
MOLECULAR WEIGHT: 283.36484
SMILES: CN1CC(C2=CC(=C(C=C2C1)OC)OC)C3=CC=CC=C3
Structure:
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