3-[(2-Amino-9H-purin-6-yl)thio]propanoic acid

CAS Registry Number®

93919-44-9

CAS Name

3-[(2-Amino-9H-purin-6-yl)thio]propanoic acid

Molecular Formula

C8H9N5O2S

Molecular Mass

239.25

Cite this Page

3-[(2-Amino-9H-purin-6-yl)thio]propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=93919-44-9 (retrieved 2025-01-03) (CAS RN: 93919-44-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H9N5O2S/c9-8-12-6-5(10-3-11-6)7(13-8)16-2-1-4(14)15/h3H,1-2H2,(H,14,15)(H3,9,10,11,12,13)

InChIKey

InChIKey=AGEPYGNRWZRUOT-UHFFFAOYSA-N

SMILES

S(CCC(O)=O)C1=C2C(N=CN2)=NC(N)=N1

Canonical SMILES

O=C(O)CCSC1=NC(=NC=2N=CNC21)N

Other Names for this Substance

  • Propanoic acid, 3-[(2-amino-9H-purin-6-yl)thio]-
  • Propanoic acid, 3-[(2-amino-1H-purin-6-yl)thio]-
  • 3-[(2-Amino-9H-purin-6-yl)thio]propanoic acid
  • 3-[(2-Amino-7H-purin-6-yl)sulfanyl]propanoic acid
  • 3-[(2-Amino-9H-purin-6-yl)sulfanyl]propanoic acid

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