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Substance Name: 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester
RN: 121112-81-0
InChIKey: VNDCGFWBMOOJHE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H20-F2-N2-O3-S

Molecular Weight

  • 418.462
 
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Names and Synonyms

Synonym

  • BRN 5645181

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 121112-81-0

System Generated Number

  • 0121112810

Structure Descriptors

InChI

1S/C21H20F2N2O3S/c1-3-27-19(26)17-13(2)25(14-9-5-4-6-10-14)21(29)24-18(17)15-11-7-8-12-16(15)28-20(22)23/h4-12,18,20H,3H2,1-2H3,(H,24,29)

InChIKey

VNDCGFWBMOOJHE-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(N(C(=S)NC1c2ccccc2OC(F)F)c3ccccc3)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.