8-Chloro-3,9-dihydro-1H-purine-2,6-dione

CAS Registry Number®

13548-68-0
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CAS Name

8-Chloro-3,9-dihydro-1H-purine-2,6-dione

Molecular Formula

C5H3ClN4O2

Molecular Mass

186.56

Cite this Page

8-Chloro-3,9-dihydro-1H-purine-2,6-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13548-68-0 (retrieved 2024-09-07) (CAS RN: 13548-68-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C5H3ClN4O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h(H3,7,8,9,10,11,12)

InChIKey

InChIKey=OZPCWWUKRLUQSS-UHFFFAOYSA-N

SMILES

O=C1C2=C(N=C(Cl)N2)NC(=O)N1

Canonical SMILES

O=C1NC(=O)C=2NC(Cl)=NC2N1

Other Names for this Substance

  • 1H-Purine-2,6-dione, 8-chloro-3,9-dihydro-
  • Xanthine, 8-chloro-
  • 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-
  • 8-Chloro-3,9-dihydro-1H-purine-2,6-dione
  • 8-Chloroxanthine

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