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Substance Name: 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-2-thioxo-, ethyl ester
RN: 121112-80-9
InChIKey: KOUYCXKLICMXNB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-F2-N2-O3-S

Molecular Weight

  • 342.3644
 
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Names and Synonyms

Synonym

  • BRN 5613603

Systematic Name

  • 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-2-thioxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 121112-80-9

System Generated Number

  • 0121112809

Structure Descriptors

InChI

1S/C15H16F2N2O3S/c1-3-21-13(20)11-8(2)18-15(23)19-12(11)9-6-4-5-7-10(9)22-14(16)17/h4-7,12,14H,3H2,1-2H3,(H2,18,19,23)

InChIKey

KOUYCXKLICMXNB-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(NC(=S)NC1c2ccccc2OC(F)F)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 213, 1989.