skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

purvalanol a  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

alt_id

  • CHEBI:38935
  • CHEBI:47599

charge

  • 0

formula

  • C19H25ClN6O

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

inchikey

  • PMXCMJLOPOFPBT-HNNXBMFYSA-N

mass

  • 388.89434

monoisotopicmass

  • 388.17784

smiles

  • CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1

subset

  • 3_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:47600

Download this concept: