IHJ

9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}-9H-PURINE-2-CARBONITRILE


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Chemical Component Summary

Name9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}-9H-PURINE-2-CARBONITRILE
SynonymsNVP-ABJ688
Identifiers9-cyclopentyl-6-[[2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]purine-2-carbonitrile
FormulaC25 H32 N8 O
Molecular Weight460.575
TypeNON-POLYMER
Isomeric SMILESCN1CCN(CC1)CCCOc2ccccc2Nc3c4c(nc(n3)C#N)n(cn4)C5CCCC5
InChIInChI=1S/C25H32N8O/c1-31-12-14-32(15-13-31)11-6-16-34-21-10-5-4-9-20(21)28-24-23-25(30-22(17-26)29-24)33(18-27-23)19-7-2-3-8-19/h4-5,9-10,18-19H,2-3,6-8,11-16H2,1H3,(H,28,29,30)
InChIKeyVWGLHPDSAYQVRM-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count0
Bond Count70
Aromatic Bond Count16

Related Resource References

Resource NameReference
Pharos CHEMBL188139
PubChem 5288618
ChEMBL CHEMBL188139
ChEBI CHEBI:43424