8-(1,3-Benzodioxol-5-ylthio)-9H-purin-6-amine

CAS Registry Number®

873436-88-5
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CAS Name

8-(1,3-Benzodioxol-5-ylthio)-9H-purin-6-amine

Molecular Formula

C12H9N5O2S

Molecular Mass

287.30

Cite this Page

8-(1,3-Benzodioxol-5-ylthio)-9H-purin-6-amine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=873436-88-5 (retrieved 2024-05-20) (CAS RN: 873436-88-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H9N5O2S/c13-10-9-11(15-4-14-10)17-12(16-9)20-6-1-2-7-8(3-6)19-5-18-7/h1-4H,5H2,(H3,13,14,15,16,17)

InChIKey

InChIKey=LGBDNSGYOVMKIT-UHFFFAOYSA-N

SMILES

NC1=C2C(N=C(SC=3C=C4C(=CC3)OCO4)N2)=NC=N1

Canonical SMILES

N1=CN=C(N)C=2NC(=NC12)SC3=CC=C4OCOC4=C3

Other Names for this Substance

  • 9H-Purin-6-amine, 8-(1,3-benzodioxol-5-ylthio)-
  • 1H-Purin-6-amine, 8-(1,3-benzodioxol-5-ylthio)-
  • 8-(1,3-Benzodioxol-5-ylthio)-9H-purin-6-amine
  • 8-[(Benzo[d][1,3]dioxol-5-yl)thio]-9H-purin-6-amine

Deleted or Replaced CAS Registry Numbers

1240419-74-2

CAS INSIGHTSTM
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