CAS RN: 15485-97-9
CAS Name: N',2-dihydroxy-2-methylpropanimidamide
OPENEYE Name: N',2-dihydroxy-2-methyl-propanamidine
IUPAC Name: N',2-dihydroxy-2-methylpropanimidamide
SYSTEMATIC NAME: 2-methyl-N',2-bis(oxidanyl)propanimidamide
MOLECULAR FORMULA: C4H10N2O2
MOLECULAR WEIGHT: 118.1344
SMILES: CC(C)(/C(=N/O)/N)O
Structure:
CAS RN: 88891-75-2
CAS Name: 5-pyrimidinecarbothioamide
OPENEYE Name: pyrimidine-5-carbothioamide
IUPAC Name: pyrimidine-5-carbothioamide
SYSTEMATIC NAME: pyrimidine-5-carbothioamide
MOLECULAR FORMULA: C5H5N3S
MOLECULAR WEIGHT: 139.1783
SMILES: C1=C(C=NC=N1)C(=S)N
Structure:
CAS RN: 884495-03-8
CAS Name: 2-bromo-5-fluoro-3-pyridinamine
OPENEYE Name: 2-bromo-5-fluoro-pyridin-3-amine
IUPAC Name: 2-bromo-5-fluoropyridin-3-amine
SYSTEMATIC NAME: 2-bromanyl-5-fluoranyl-pyridin-3-amine
MOLECULAR FORMULA: C5H4BrFN2
MOLECULAR WEIGHT: 191.001063
SMILES: C1=C(C(=NC=C1F)Br)N
Structure:
CAS RN: 884494-97-7
CAS Name: 6-fluoro-2-methyl-3-pyridinecarboxylic acid
OPENEYE Name: 6-fluoro-2-methyl-pyridine-3-carboxylic acid
IUPAC Name: 6-fluoro-2-methylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 6-fluoranyl-2-methyl-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C7H6FNO2
MOLECULAR WEIGHT: 155.126443
SMILES: CC1=C(C=CC(=N1)F)C(=O)O
Structure:
CAS RN: 819850-13-0
CAS Name: N-(1H-indol-4-yl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(1H-indol-4-yl)carbamate
IUPAC Name: tert-butyl N-(1H-indol-4-yl)carbamate
SYSTEMATIC NAME: tert-butyl N-(1H-indol-4-yl)carbamate
MOLECULAR FORMULA: C13H16N2O2
MOLECULAR WEIGHT: 232.27834
SMILES: CC(C)(C)OC(=O)NC1=CC=CC2=C1C=CN2
Structure:
CAS RN: 870065-73-9
CAS Name: 2,5,6-trifluoro-3-pyridinecarbonitrile
OPENEYE Name: 2,5,6-trifluoropyridine-3-carbonitrile
IUPAC Name: 2,5,6-trifluoropyridine-3-carbonitrile
SYSTEMATIC NAME: 2,5,6-tris(fluoranyl)pyridine-3-carbonitrile
MOLECULAR FORMULA: C6HF3N2
MOLECULAR WEIGHT: 158.08075
SMILES: C1=C(C(=NC(=C1F)F)F)C#N
Structure:
CAS RN: 665-35-0
CAS Name: 2-(1,1,2,2-tetrafluoroethylthio)acetic acid
OPENEYE Name: 2-(1,1,2,2-tetrafluoroethylsulfanyl)acetic acid
IUPAC Name: 2-(1,1,2,2-tetrafluoroethylsulfanyl)acetic acid
SYSTEMATIC NAME: 2-[1,1,2,2-tetrakis(fluoranyl)ethylsulfanyl]ethanoic acid
MOLECULAR FORMULA: C4H4F4O2S
MOLECULAR WEIGHT: 192.131973
SMILES: C(C(=O)O)SC(C(F)F)(F)F
Structure:
CAS RN: 887268-26-0
CAS Name: 4-bromo-2-methyl-1-(trifluoromethoxy)benzene
OPENEYE Name: 4-bromo-2-methyl-1-(trifluoromethoxy)benzene
IUPAC Name: 4-bromo-2-methyl-1-(trifluoromethoxy)benzene
SYSTEMATIC NAME: 4-bromanyl-2-methyl-1-(trifluoromethyloxy)benzene
MOLECULAR FORMULA: C8H6BrF3O
MOLECULAR WEIGHT: 255.03185
SMILES: CC1=C(C=CC(=C1)Br)OC(F)(F)F
Structure:
CAS RN: 1582-18-9
CAS Name: (2R)-1,1,1-trifluoro-3-methyl-2-butanamine
OPENEYE Name: (2R)-1,1,1-trifluoro-3-methyl-butan-2-amine
IUPAC Name: (2R)-1,1,1-trifluoro-3-methylbutan-2-amine
SYSTEMATIC NAME: (2R)-1,1,1-tris(fluoranyl)-3-methyl-butan-2-amine
MOLECULAR FORMULA: C5H10F3N
MOLECULAR WEIGHT: 141.13481
SMILES: CC(C)[C@H](C(F)(F)F)N
Structure:
CAS RN: 884494-87-5
CAS Name: 3-bromo-5-chloro-2-fluoropyridine
OPENEYE Name: 3-bromo-5-chloro-2-fluoro-pyridine
IUPAC Name: 3-bromo-5-chloro-2-fluoropyridine
SYSTEMATIC NAME: 3-bromanyl-5-chloranyl-2-fluoranyl-pyridine
MOLECULAR FORMULA: C5H2BrClFN
MOLECULAR WEIGHT: 210.431483
SMILES: C1=C(C=NC(=C1Br)F)Cl
Structure:
CAS RN: 884494-82-0
CAS Name: 5-fluoro-2-methoxy-3-pyridinecarboxylic acid
OPENEYE Name: 5-fluoro-2-methoxy-pyridine-3-carboxylic acid
IUPAC Name: 5-fluoro-2-methoxypyridine-3-carboxylic acid
SYSTEMATIC NAME: 5-fluoranyl-2-methoxy-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C7H6FNO3
MOLECULAR WEIGHT: 171.125843
SMILES: COC1=NC=C(C=C1C(=O)O)F
Structure:
CAS RN: 884494-81-9
CAS Name: 3-bromo-5-fluoro-2-methoxypyridine
OPENEYE Name: 3-bromo-5-fluoro-2-methoxy-pyridine
IUPAC Name: 3-bromo-5-fluoro-2-methoxypyridine
SYSTEMATIC NAME: 3-bromanyl-5-fluoranyl-2-methoxy-pyridine
MOLECULAR FORMULA: C6H5BrFNO
MOLECULAR WEIGHT: 206.012403
SMILES: COC1=C(C=C(C=N1)F)Br
Structure:
CAS RN: 882679-90-5
CAS Name: 5-chloro-2-fluoro-3-pyridinecarboxaldehyde
OPENEYE Name: 5-chloro-2-fluoro-pyridine-3-carbaldehyde
IUPAC Name: 5-chloro-2-fluoropyridine-3-carbaldehyde
SYSTEMATIC NAME: 5-chloranyl-2-fluoranyl-pyridine-3-carbaldehyde
MOLECULAR FORMULA: C6H3ClFNO
MOLECULAR WEIGHT: 159.545523
SMILES: C1=C(C(=NC=C1Cl)F)C=O
Structure:
CAS RN: 60666-23-1
CAS Name: amino-[amino-(3-nitrophenyl)methylidene]ammonium
OPENEYE Name: amino-[amino-(3-nitrophenyl)methylene]ammonium
IUPAC Name: amino-[amino-(3-nitrophenyl)methylidene]azanium
SYSTEMATIC NAME: azanyl-[azanyl-(3-nitrophenyl)methylidene]azanium
MOLECULAR FORMULA: C7H9N4O2+
MOLECULAR WEIGHT: 181.17196
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=[NH+]N)N
Structure:
CAS RN: 676448-17-2
CAS Name: 4-bromo-1-indolecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-bromoindole-1-carboxylate
IUPAC Name: tert-butyl 4-bromoindole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-bromanylindole-1-carboxylate
MOLECULAR FORMULA: C13H14BrNO2
MOLECULAR WEIGHT: 296.15976
SMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2Br
Structure:
CAS RN: 61414-16-2
CAS Name: 4-[4,6-bis(4-carboxylatophenyl)-1,3,5-triazin-2-yl]benzoate
OPENEYE Name: 4-[4,6-bis(4-carboxylatophenyl)-1,3,5-triazin-2-yl]benzoate
IUPAC Name: 4-[4,6-bis(4-carboxylatophenyl)-1,3,5-triazin-2-yl]benzoate
SYSTEMATIC NAME: 4-[4,6-bis(4-carboxylatophenyl)-1,3,5-triazin-2-yl]benzoate
MOLECULAR FORMULA: C24H12N3O6-3
MOLECULAR WEIGHT: 438.36858
SMILES: C1=CC(=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)C(=O)[O-])C4=CC=C(C=C4)C(=O)[O-])C(=O)[O-]
Structure:
CAS RN: 117835-08-2
CAS Name: (2R,4S,5S)-5-phenylpyrrolidin-1-ium-2,4-dicarboxylate
OPENEYE Name: (2R,4S,5S)-5-phenylpyrrolidin-1-ium-2,4-dicarboxylate
IUPAC Name: (2R,4S,5S)-5-phenylpyrrolidin-1-ium-2,4-dicarboxylate
SYSTEMATIC NAME: (2R,4S,5S)-5-phenylpyrrolidin-1-ium-2,4-dicarboxylate
MOLECULAR FORMULA: C12H12NO4-
MOLECULAR WEIGHT: 234.22798
SMILES: C1[C@@H]([C@H]([NH2+][C@H]1C(=O)[O-])C2=CC=CC=C2)C(=O)[O-]
Structure:
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