Chem
J-GLOBAL ID：200907068216373670   Nikkaji number：J1.969.824F

3-[4-[[3-(Trifluoromethyl)benzyl]amino]-1H-pyrazolo[3,4-d]pyrimidine-3-yl]aniline

3-[4-[[3-(トリフルオロメチル)ベンジル]アミノ]-1H-ピラゾロ[3,4-d]ピリミジン-3-イル]アニリン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H15F3N6
Molecular formula furigana： C19-H15-F3-N6
Molecular weight： 384.366
InChI： InChI=1S/C19H15F3N6/c20-19(21,22)13-5-1-3-11(7-13)9-24-17-15-16(12-4-2-6-14(23)8-12)27-28-18(15)26-10-25-17/h1-8,10H,9,23H2,(H2,24,25,26,27,28)
InChI key： RQMMMYBQXQDZIG-UHFFFAOYSA-N
SMILES： Nc1cccc(c1)c1n[nH]c2ncnc(NCc3cccc(c3)C(F)(F)F)c12
Systematic name  (3)：
  • 3-[4-[[3-(トリフルオロメチル)ベンジル]アミノ]-1H-ピラゾロ[3,4-d]ピリミジン-3-イル]アニリン
  • 3-(3-アミノフェニル)-N-{[3-(トリフルオロメチル)フェニル]メチル}-1H-ピラゾロ[3,4-d]ピリミジン-4-アミン
  • 3-(3-aminophenyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Other name (1)：
  • 3-[4-[[3-(Trifluoromethyl)benzyl]amino]-1H-pyrazolo[3,4-d]pyrimidine-3-yl]aniline
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