8H-Purin-8-one, 2,6-diamino-7,9-dihydro-, sulfate, hydrate (2:1:4)

CAS Registry Number®

123333-49-3

CAS Name

8H-Purin-8-one, 2,6-diamino-7,9-dihydro-, sulfate, hydrate (2:1:4)

Molecular Formula

C5H6N6O.1/2H2O4S.H2O

Cite this Page

8H-Purin-8-one, 2,6-diamino-7,9-dihydro-, sulfate, hydrate (2:1:4).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=123333-49-3 (retrieved 2024-11-04) (CAS RN: 123333-49-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C5H6N6O.H2O4S.H2O/c6-2-1-3(10-4(7)9-2)11-5(12)8-1;1-5(2,3)4;/h(H6,6,7,8,9,10,11,12);(H2,1,2,3,4);1H2

InChIKey

InChIKey=TVQRRINASOIUAZ-UHFFFAOYSA-N

SMILES

NC1=C2C(NC(=O)N2)=NC(N)=N1.S(=O)(=O)(O)O.O

Canonical SMILES

O=C1NC=2N=C(N=C(N)C2N1)N.O=S(=O)(O)O.O

Other Names for this Substance

  • 8H-Purin-8-one, 2,6-diamino-7,9-dihydro-, sulfate, hydrate (2:1:4)
  • 8H-Purin-8-one, 2,6-diamino-1,7-dihydro-, sulfate (2:1), dihydrate

CAS INSIGHTSTM
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