Chem
J-GLOBAL ID：200907007705467751   Nikkaji number：J893.781H

3-[4-(3-Chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenol

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]フェノール
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： C17H12ClN5O
Molecular formula furigana： C17-H12-CL-N5-O
Molecular weight： 337.770
InChI： InChI=1S/C17H12ClN5O/c18-11-4-2-5-12(8-11)21-16-14-15(10-3-1-6-13(24)7-10)22-23-17(14)20-9-19-16/h1-9,24H,(H2,19,20,21,22,23)
InChI key： DVMBLTDKHALLLH-UHFFFAOYSA-N
SMILES： Oc1cccc(c1)c1n[nH]c2ncnc(Nc3cccc(Cl)c3)c12
Systematic name  (3)：
  • 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]フェノール
  • 3-{4-[(3-クロロフェニル)アミノ]-1H-ピラゾロ[3,4-d]ピリミジン-3-イル}フェノール
  • 3-{4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenol
Other name (1)：
  • 3-[4-(3-Chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenol
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