Chem
J-GLOBAL ID：201407059500327892   Nikkaji number：J3.293.390D

6-(Methylthio)-1-phenethyl-4-[4-(trifluoromethoxy)phenylamino]-1H-pyrazolo[3,4-d]pyrimidine

6-(メチルチオ)-1-フェネチル-4-[4-(トリフルオロメトキシ)フェニルアミノ]-1H-ピラゾロ[3,4-d]ピリミジン
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： C21H18F3N5OS
Molecular formula furigana： C21-H18-F3-N5-O-S
Molecular weight： 445.460
InChI： InChI=1S/C21H18F3N5OS/c1-31-20-27-18(26-15-7-9-16(10-8-15)30-21(22,23)24)17-13-25-29(19(17)28-20)12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,26,27,28)
InChI key： PBVPIWLQPKSQSB-UHFFFAOYSA-N
SMILES： CSc1nc(Nc2ccc(OC(F)(F)F)cc2)c2cnn(CCc3ccccc3)c2n1
Systematic name  (3)：
  • 6-(メチルチオ)-1-フェネチル-4-[4-(トリフルオロメトキシ)フェニルアミノ]-1H-ピラゾロ[3,4-d]ピリミジン
  • 6-(メチルスルファニル)-1-(2-フェニルエチル)-N-[4-(トリフルオロメトキシ)フェニル]-1H-ピラゾロ[3,4-d]ピリミジン-4-アミン
  • 6-(methylsulfanyl)-1-(2-phenylethyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Other name (1)：
  • 6-(Methylthio)-1-phenethyl-4-[4-(trifluoromethoxy)phenylamino]-1H-pyrazolo[3,4-d]pyrimidine
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