8-[(6-Iodo-1,3-benzodioxol-5-yl)thio]-9H-purin-6-amine

CAS Registry Number®

873436-89-6
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CAS Name

8-[(6-Iodo-1,3-benzodioxol-5-yl)thio]-9H-purin-6-amine

Molecular Formula

C12H8IN5O2S

Molecular Mass

413.19

Cite this Page

8-[(6-Iodo-1,3-benzodioxol-5-yl)thio]-9H-purin-6-amine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=873436-89-6 (retrieved 2024-09-07) (CAS RN: 873436-89-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H8IN5O2S/c13-5-1-6-7(20-4-19-6)2-8(5)21-12-17-9-10(14)15-3-16-11(9)18-12/h1-3H,4H2,(H3,14,15,16,17,18)

InChIKey

InChIKey=BFOWGJNWQLLISB-UHFFFAOYSA-N

SMILES

NC1=C2C(N=C(SC=3C=C4C(=CC3I)OCO4)N2)=NC=N1

Canonical SMILES

IC=1C=C2OCOC2=CC1SC3=NC=4N=CN=C(N)C4N3

Other Names for this Substance

  • 9H-Purin-6-amine, 8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-
  • 1H-Purin-6-amine, 8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-
  • 8-[(6-Iodo-1,3-benzodioxol-5-yl)thio]-9H-purin-6-amine
  • 8-(6-Iodobenzo[1,3]dioxol-5-ylsulfanyl)adenine
  • 8-[(6-Iodobenzo[d][1,3]dioxol-5-yl)thio]-9H-purin-6-amine

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Deleted or Replaced CAS Registry Numbers

1240419-76-4