Ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-(methylthio)-5-pyrimidinecarboxylate

CAS Registry Number®

339019-44-2

CAS Name

Ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-(methylthio)-5-pyrimidinecarboxylate

Molecular Formula

C16H13F6N3O2S

Molecular Mass

425.35

Cite this Page

Ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-(methylthio)-5-pyrimidinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=339019-44-2 (retrieved 2024-12-23) (CAS RN: 339019-44-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H13F6N3O2S/c1-3-27-13(26)11-7-23-14(28-2)25-12(11)24-10-5-8(15(17,18)19)4-9(6-10)16(20,21)22/h4-7H,3H2,1-2H3,(H,23,24,25)

InChIKey

InChIKey=XRMNOGGMWAUPAE-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C(NC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)=NC(SC)=NC1

Canonical SMILES

O=C(OCC)C1=CN=C(N=C1NC=2C=C(C=C(C2)C(F)(F)F)C(F)(F)F)SC

Other Names for this Substance

  • 5-Pyrimidinecarboxylic acid, 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-(methylthio)-, ethyl ester
  • Ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-(methylthio)-5-pyrimidinecarboxylate

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.