Chem
J-GLOBAL ID：201407023882623432   Nikkaji number：J3.293.392K

4-(3-Hydroxyphenylamino)-6-(methylthio)-1-[(1-benzyl-1H-1,2,3-triazole-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidine

4-(3-ヒドロキシフェニルアミノ)-6-(メチルチオ)-1-[(1-ベンジル-1H-1,2,3-トリアゾール-4-イル)メチル]-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： C22H20N8OS
Molecular formula furigana： C22-H20-N8-O-S
Molecular weight： 444.520
InChI： InChI=1S/C22H20N8OS/c1-32-22-25-20(24-16-8-5-9-18(31)10-16)19-11-23-30(21(19)26-22)14-17-13-29(28-27-17)12-15-6-3-2-4-7-15/h2-11,13,31H,12,14H2,1H3,(H,24,25,26)
InChI key： IVKBUNPQIDLECY-UHFFFAOYSA-N
SMILES： CSc1nc(Nc2cccc(O)c2)c2cnn(Cc3cn(Cc4ccccc4)nn3)c2n1
Systematic name  (3)：
  • 4-(3-ヒドロキシフェニルアミノ)-6-(メチルチオ)-1-[(1-ベンジル-1H-1,2,3-トリアゾール-4-イル)メチル]-1H-ピラゾロ[3,4-d]ピリミジン
  • 3-({1-[(1-ベンジル-1H-1,2,3-トリアゾール-4-イル)メチル]-6-(メチルスルファニル)-1H-ピラゾロ[3,4-d]ピリミジン-4-イル}アミノ)フェノール
  • 3-({1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)phenol
Other name (1)：
  • 4-(3-Hydroxyphenylamino)-6-(methylthio)-1-[(1-benzyl-1H-1,2,3-triazole-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidine
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