4,6-Pyrimidinediamine, sulfate (2:1)

CAS Registry Number®

77709-02-5
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CAS Name

4,6-Pyrimidinediamine, sulfate (2:1)

Molecular Formula

C4H6N4.1/2H2O4S

Cite this Page

4,6-Pyrimidinediamine, sulfate (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77709-02-5 (retrieved 2024-09-07) (CAS RN: 77709-02-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C4H6N4.H2O4S/c5-3-1-4(6)8-2-7-3;1-5(2,3)4/h1-2H,(H4,5,6,7,8);(H2,1,2,3,4)

InChIKey

InChIKey=KVQQUKZVGBKTLQ-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)O.NC=1C=C(N)N=CN1

Canonical SMILES

O=S(=O)(O)O.N=1C=NC(N)=CC1N

Other Names for this Substance

  • 4,6-Pyrimidinediamine, sulfate (2:1)
  • 4,6-Diaminopyrimidine hemisulfate