2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-, phosphate (1:1)

CAS Registry Number®

7681-25-6

CAS Name

2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-, phosphate (1:1)

Molecular Formula

C12H13ClN4.H3O4P

Cite this Page

2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-, phosphate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7681-25-6 (retrieved 2024-11-25) (CAS RN: 7681-25-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13ClN4.H3O4P/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-5(2,3)4/h3-6H,2H2,1H3,(H4,14,15,16,17);(H3,1,2,3,4)

InChIKey

InChIKey=PILGLRCXWYDHSE-UHFFFAOYSA-N

SMILES

P(=O)(O)(O)O.C(C)C=1C(=C(N)N=C(N)N1)C2=CC=C(Cl)C=C2

Canonical SMILES

O=P(O)(O)O.ClC1=CC=C(C=C1)C=2C(=NC(=NC2CC)N)N

Other Names for this Substance

  • 2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-, phosphate (1:1)
  • Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-, phosphate (1:1)
  • Pyrimethamine monophosphate

CAS INSIGHTSTM
Hourglass and a clock