CAS Registry Number: 155690-79-2

Name:

Pyrido[2,​3-​d]​pyrimidin-​4(3H)​-​one, 6-​bromo-
Pyrido[2,​3-​d]​pyrimidin-​4(1H)​-​one, 6-​bromo- (9CI); 6-​Bromopyrido[2,​3-​d]​pyrimidin-​4-​ol 

Chemical Formula: C7H4BrN3O
Exact Mass: 224.95
Molecular Weight: 226.03
m/z: 224.95 (100.0%), 226.95 (97.4%), 225.96 (7.7%), 227.96 (7.5%), 225.95 (1.1%), 227.95 (1.1%)
Elemental Analysis: C, 37.20; H, 1.78; Br, 35.35; N, 18.59; O, 7.08

InChI: InChI=1S/C7H4BrN3O/c8-4-1-5-6(9-2-4)10-3-11-7(5)12/h1-3H,(H,9,10,11,12)
InChIKey: CEIXKKYHWOYPLV-UHFFFAOYSA-N
Canonical SMILES : C1=C2C(=NC=C1Br)NC=NC2=O

Specification

98%

PCT Int. Appl. (2014), WO 2014055955 A1 20140410. 

PCT Int. Appl. (2009), WO 2009107767 A1 20090903.