Purvalanol A

CAS Registry Number®

212844-53-6
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CAS Name

Purvalanol A

Molecular Formula

C19H25ClN6O

Molecular Mass

388.89

Cite this Page

Purvalanol A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=212844-53-6 (retrieved 2024-04-28) (CAS RN: 212844-53-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey=PMXCMJLOPOFPBT-HNNXBMFYSA-N

SMILES

N(C1=C2C(N(C(C)C)C=N2)=NC(N[C@H](C(C)C)CO)=N1)C3=CC(Cl)=CC=C3

Canonical SMILES

ClC1=CC=CC(=C1)NC2=NC(=NC3=C2N=CN3C(C)C)NC(CO)C(C)C

Other Names for this Substance

  • 1-Butanol, 2-[[6-[(3-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl]amino]-3-methyl-, (2R)-
  • (2R)-2-[[6-[(3-Chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl]amino]-3-methyl-1-butanol
  • Purvalanol A
  • NG 60
  • (R)-Purvalanol A

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