Chem
J-GLOBAL ID：200907046285245141   Nikkaji number：J893.785K

3-[4-(3-Chloroanilino)-1H-pyrazolo[3,4-d]pyrimidine-3-yl]aniline

3-[4-(3-クロロアニリノ)-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： C17H13ClN6
Molecular formula furigana： C17-H13-CL-N6
Molecular weight： 336.780
InChI： InChI=1S/C17H13ClN6/c18-11-4-2-6-13(8-11)22-16-14-15(10-3-1-5-12(19)7-10)23-24-17(14)21-9-20-16/h1-9H,19H2,(H2,20,21,22,23,24)
InChI key： WXPDCELKHNMODS-UHFFFAOYSA-N
SMILES： Nc1cccc(c1)c1n[nH]c2ncnc(Nc3cccc(Cl)c3)c12
Systematic name  (3)：
  • 3-(3-アミノフェニル)-N-(3-クロロフェニル)-1H-ピラゾロ[3,4-d]ピリミジン-4-アミン
  • 3-[4-(3-クロロアニリノ)-1H-ピラゾロ[3,4-d]ピリミジン-3-イル]アニリン
  • 3-(3-aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Other name (2)：
  • 3-(3-Aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
  • 3-[4-(3-Chloroanilino)-1H-pyrazolo[3,4-d]pyrimidine-3-yl]aniline
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