Chem
J-GLOBAL ID：200907061582717620   Nikkaji number：J1.969.819J

3-[[3-(3-Aminophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-yl]amino]benzoic acid

3-[[3-(3-アミノフェニル)-1H-ピラゾロ[3,4-d]ピリミジン-4-イル]アミノ]安息香酸
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： C18H14N6O2
Molecular formula furigana： C18-H14-N6-O2
Molecular weight： 346.350
InChI： InChI=1S/C18H14N6O2/c19-12-5-1-3-10(7-12)15-14-16(20-9-21-17(14)24-23-15)22-13-6-2-4-11(8-13)18(25)26/h1-9H,19H2,(H,25,26)(H2,20,21,22,23,24)
InChI key： JKSLQIZEZJVAEG-UHFFFAOYSA-N
SMILES： Nc1cccc(c1)c1n[nH]c2ncnc(Nc3cccc(c3)C(=O)O)c12
Systematic name  (3)：
  • 3-[[3-(3-アミノフェニル)-1H-ピラゾロ[3,4-d]ピリミジン-4-イル]アミノ]安息香酸
  • 3-{[3-(3-アミノフェニル)-1H-ピラゾロ[3,4-d]ピリミジン-4-イル]アミノ}安息香酸
  • 3-{[3-(3-aminophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoic acid
Other name (1)：
  • 3-[[3-(3-Aminophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-yl]amino]benzoic acid
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