Methyl 5-(9H-purin-6-ylthio)pentanoate

CAS Registry Number®

10226-45-6

CAS Name

Methyl 5-(9H-purin-6-ylthio)pentanoate

Molecular Formula

C11H14N4O2S

Molecular Mass

266.32

Cite this Page

Methyl 5-(9H-purin-6-ylthio)pentanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10226-45-6 (retrieved 2024-12-05) (CAS RN: 10226-45-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H14N4O2S/c1-17-8(16)4-2-3-5-18-11-9-10(13-6-12-9)14-7-15-11/h6-7H,2-5H2,1H3,(H,12,13,14,15)

InChIKey

InChIKey=XUUYBPFXAKRRHP-UHFFFAOYSA-N

SMILES

S(CCCCC(OC)=O)C1=C2C(N=CN2)=NC=N1

Canonical SMILES

O=C(OC)CCCCSC1=NC=NC=2N=CNC21

Other Names for this Substance

  • Pentanoic acid, 5-(9H-purin-6-ylthio)-, methyl ester
  • Valeric acid, 5-(purin-6-ylthio)-, methyl ester
  • Pentanoic acid, 5-(1H-purin-6-ylthio)-, methyl ester
  • Methyl 5-(9H-purin-6-ylthio)pentanoate

Deleted or Replaced CAS Registry Numbers

13309-48-3

CAS INSIGHTSTM
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