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Substance Name: Purvalanol A
RN: 212844-53-6
UNII: YP483E75C4
InChIKey: PMXCMJLOPOFPBT-HNNXBMFYSA-N

Note

  • Purvalanol A is the (1R)-isomer.

Molecular Formula

  • C19-H25-Cl-N6-O

Molecular Weight

  • 388.9005
 
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Names and Synonyms

Results Name

  • Purvalanol A

Name of Substance

  • 6-((3-Chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine

Synonyms

  • Purv
  • Purvalanol A
  • UNII-YP483E75C4

Systematic Name

  • 2-(1R-Isopropyl-2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine

Registry Numbers

CAS Registry Number

  • 212844-53-6

FDA UNII

  • YP483E75C4

System Generated Number

  • 0212844536

Structure Descriptors

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

Smiles

CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c3ncn(C(C)C)c3n1