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Substance Name: Pyrimidine, 2-(5-((4-chloro-3-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)-
RN: 141079-11-0
InChIKey: QJSVWMYHMYFUOD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H18-Cl-N5-O

Molecular Weight

  • 391.8602
 
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Names and Synonyms

Synonym

  • 2-(5-((4-Chloro-3-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)pyrimidine

Systematic Name

  • Pyrimidine, 2-(5-((4-chloro-3-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)-

Registry Numbers

CAS Registry Number

  • 141079-11-0

System Generated Number

  • 0141079110

Structure Descriptors

InChI

1S/C21H18ClN5O/c1-14-4-6-16(7-5-14)27-19(13-28-17-8-9-18(22)15(2)12-17)25-26-21(27)20-23-10-3-11-24-20/h3-12H,13H2,1-2H3

InChIKey

QJSVWMYHMYFUOD-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)n2c(nnc2c3ncccn3)COc4ccc(c(c4)C)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 31, Pg. 289, 1992.