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Substance Name: 4-Pyrimidinecarboxylic acid, 5-((4-methoxyphenyl)thio)-2-(methylthio)-
RN: 25818-48-8
InChIKey: ZGTVERZVINWYAT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-N2-O3-S2

Molecular Weight

  • 308.381
 
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Names and Synonyms

Synonyms

  • 5-((4-Methoxyphenyl)thio)-2-(methylthio)-4-pyrimidinecarboxylic acid
  • 5-25-07-00008 (Beilstein Handbook Reference)
  • BRN 0823538

Systematic Name

  • 4-Pyrimidinecarboxylic acid, 5-((4-methoxyphenyl)thio)-2-(methylthio)-

Registry Numbers

CAS Registry Number

  • 25818-48-8

System Generated Number

  • 0025818488

Structure Descriptors

InChI

1S/C13H12N2O3S2/c1-18-8-3-5-9(6-4-8)20-10-7-14-13(19-2)15-11(10)12(16)17/h3-7H,1-2H3,(H,16,17)

InChIKey

ZGTVERZVINWYAT-UHFFFAOYSA-N

Smiles

c1(nc(c(cn1)Sc1ccc(cc1)OC)C(=O)O)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 2771, 1976.