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CHEBI:131169 - 8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone

ChEBI IDCHEBI:131169
ChEBI Name8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone
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FormulaC22H17ClN6O
Net Charge0
Average Mass416.872
Monoisotopic Mass416.11524
SMILESC[C@H](Nc1ncnc2ncnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1
InChIKeySJVQHLPISAIATJ-ZDUSSCGKSA-N
ChEBI Ontology
Outgoing Relation(s)
8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone (CHEBI:131169) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-42769LINCS