small molecule

Purvalanol A

Synonyms/Brands: Purv, 6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine

Molecular Formula: C₁₉H₂₅ClN₆O

Molecular Weight:: 388.894

CAS:: 212844-53-6

InChiKey:: PMXCMJLOPOFPBT-HNNXBMFYSA-N

InChi:: InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1

SMILES:: [H][C@@](CO)(NC1=NC(NC2=CC=CC(Cl)=C2)=C2N=CN(C(C)C)C2=N1)C(C)C

IUPAC Name:: (2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol

DrugBank BindingDB PubChem ChemSpider ChEBI PDB

Download Curated Data for this Chemical

4554

Interactors 3
Chemical Interactions 3
Network

Chemical Summary

Purvalanol A