CAS Registry Number: 31169-25-2

Name:

Thieno[3,​2-​d]​pyrimidin-​4(3H)​-​one, 7-​bromo-
Thieno[3,​2-​d]​pyrimidin-​4(1H)​-​one, 7-​bromo- (9CI); 7-​Bromothieno[3,​2-​d]​pyrimidin-​4(3H)​-​one 

Chemical Formula: C6H3BrN2OS
Exact Mass: 229.91
Molecular Weight: 231.07
m/z: 231.91 (100.0%), 229.91 (98.2%), 230.92 (6.4%), 232.92 (6.3%), 233.91 (4.4%), 232.91 (1.8%), 230.91 (1.5%)
Elemental Analysis: C, 31.19; H, 1.31; Br, 34.58; N, 12.12; O, 6.92; S, 13.88

InChI: InChI=1S/C6H3BrN2OS/c7-3-1-11-5-4(3)8-2-9-6(5)10/h1-2H,(H,8,9,10)
InChIKey: SFFNZDXKMOSLNK-UHFFFAOYSA-N
Canonical SMILES : C1=C(C2=C(S1)C(=O)N=CN2)Br

Specification

98%

1. (1) Peng, Jinsong; Journal of Combinatorial Chemistry 2007, V9(3), P431-436 CAPLUS