Chem
J-GLOBAL ID：200907008254797244   Nikkaji number：J1.969.817C

3-(1,3-Benzodioxole-5-yl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine

3-(1,3-ベンゾジオキソール-5-イル)-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
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： C18H12ClN5O2
Molecular formula furigana： C18-H12-CL-N5-O2
Molecular weight： 365.780
InChI： InChI=1S/C18H12ClN5O2/c19-11-2-1-3-12(7-11)22-17-15-16(23-24-18(15)21-8-20-17)10-4-5-13-14(6-10)26-9-25-13/h1-8H,9H2,(H2,20,21,22,23,24)
InChI key： MSKXLCUVVHAYOO-UHFFFAOYSA-N
SMILES： Clc1cccc(Nc2ncnc3[nH]nc(c4ccc5OCOc5c4)c23)c1
Systematic name  (3)：
  • 3-(1,3-ベンゾジオキソール-5-イル)-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-(2H-1,3-ベンゾジオキソール-5-イル)-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-(2H-1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Other name (1)：
  • 3-(1,3-Benzodioxole-5-yl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine
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