CAS Registry Number: 50593-91-4

Name:

4-​Pyrimidinecarboxylic acid, 5-​bromo-​2-​(methylthio)​-​, methyl ester
5-​Bromo-​2-​(methylsulfanyl)​pyrimidine-​4-​carboxylic acid methyl ester 

Chemical Formula: C7H7BrN2O2S
Exact Mass: 261.94
Molecular Weight: 263.11
m/z: 263.94 (100.0%), 261.94 (98.1%), 264.94 (9.1%), 262.94 (8.9%), 265.93 (4.3%)
Elemental Analysis: C, 31.95; H, 2.68; Br, 30.37; N, 10.65; O, 12.16; S, 12.19

InChI: InChI=1S/C7H7BrN2O2S/c1-12-6(11)5-4(8)3-9-7(10-5)13-2/h3H,1-2H3
InChIKey: MYZJIEWTRJTWCD-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=NC(=NC=C1Br)SC

Specification

98%

PCT Int. Appl. (2014), WO 2014069510 A1 20140508.                                  

PCT Int. Appl. (2014), WO 2014037750 A1 20140313.