CAS Registry Number: 767-69-1

Name:

9H-​Purine, 6-​bromo-
1H-​Purine, 6-​bromo- (9CI); Purine, 6-​bromo- (6CI,​7CI,​8CI); 6-​Bromo-​9H-​purine; 6-​Bromopurine; NSC 45150 

Deleted CAS Registry Numbers: 888037-​30-​7

Chemical Formula: C5H3BrN4
Exact Mass: 197.95
Molecular Weight: 199.01
m/z: 197.95 (100.0%), 199.95 (97.4%), 198.96 (5.4%), 200.96 (5.3%), 198.95 (1.5%), 200.95 (1.4%)

InChI: InChI=1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
InChIKey: CTGFGRDVWBZYNB-UHFFFAOYSA-N
Canonical SMILES : C1=NC2=C(N1)C(=NC=N2)Br

Specification

98%

(1) Breitmaier, E.; Tetrahedron 1974, V30(21), P3941-3 CAPLUS