Chemical Component Summary

NameN~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine
SynonymsN5-(3-(9H-purin-6-yl)pyridin-2-yl)-N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine
IdentifiersN1-(4-chlorophenyl)-6-methyl-N5-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine
FormulaC26 H19 Cl N8
Molecular Weight478.936
TypeNON-POLYMER
Isomeric SMILESCc1ccc2c(c1Nc3c(cccn3)c4c5c(nc[nH]5)ncn4)ccnc2Nc6ccc(cc6)Cl
InChIInChI=1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33)
InChIKeyKKVYYGGCHJGEFJ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count0
Bond Count59
Aromatic Bond Count34

Related Resource References

Resource NameReference
Pharos CHEMBL1197798
PubChem 44223999
ChEMBL CHEMBL1197798