3-Demethyltrimethoprim

CAS Registry Number®

27653-69-6

CAS Name

3-Demethyltrimethoprim

Molecular Formula

C13H16N4O3

Molecular Mass

276.29

Cite this Page

3-Demethyltrimethoprim.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=27653-69-6 (retrieved 2024-11-22) (CAS RN: 27653-69-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16N4O3/c1-19-10-5-7(4-9(18)11(10)20-2)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)

InChIKey

InChIKey=HWBPOLWLLFXEJY-UHFFFAOYSA-N

SMILES

O(C)C1=C(OC)C=C(CC=2C(N)=NC(N)=NC2)C=C1O

Canonical SMILES

OC=1C=C(C=C(OC)C1OC)CC2=CN=C(N=C2N)N

Other Names for this Substance

  • Phenol, 5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxy-
  • m-Cresol, α-(2,4-diamino-5-pyrimidinyl)-5,6-dimethoxy-
  • 5-[(2,4-Diamino-5-pyrimidinyl)methyl]-2,3-dimethoxyphenol
  • 2,4-Diamino-5-(3-hydroxy-4,5-dimethoxybenzyl)pyrimidine
  • 3-Demethyltrimethoprim

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