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Substance Name: 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester
RN: 118201-39-1
InChIKey: MTBJOORKGGSVKR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-F2-N2-O3-S

Molecular Weight

  • 328.3376
 
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Names and Synonyms

Synonym

  • 2-Oxo-4-(2'-difluoromethylthiophenyl)-5-methoxycarbonyl-6-methyl-1,2,3,4-tetrahydropyrimidine

Systematic Name

  • 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-6-methyl-2-oxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 118201-39-1

System Generated Number

  • 0118201391

Structure Descriptors

InChI

1S/C14H14F2N2O3S/c1-7-10(12(19)21-2)11(18-14(20)17-7)8-5-3-4-6-9(8)22-13(15)16/h3-6,11,13H,1-2H3,(H2,17,18,20)

InChIKey

MTBJOORKGGSVKR-UHFFFAOYSA-N

Smiles

CC1=C(C(NC(=O)N1)c2ccccc2SC(F)F)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4738965,