CAS Registry Number: 50593-92-5
Name:

5-bromo-2-(methylthio)pyrimidine-4-carboxylic acid

4-pyrimidinecarboxylic acid, 5-bromo-2-(methylthio)-

Chemical Formula: C6H5BrN2O2S
Exact Mass: 247.93
Molecular Weight: 249.09
m/z: 249.92 (100.0%), 247.93 (98.2%), 248.93 (6.5%), 250.93 (6.4%), 251.92 (4.4%), 250.92 (1.8%), 248.92 (1.5%)

InChI
InChI=1S/C6H5BrN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)
InChI Key
YJEWVVYJOJJLBP-UHFFFAOYSA-N
Canonical SMILES
CSC1=NC=C(C(=N1)C(=O)O)Br

Specification

98%

PCT Int. Appl. (2018), WO 2018097297 A1 20180531.

Journal of Medicinal Chemistry (2017), 60(6), 2215-2226.