CAS Registry Number: 229025-10-9
 Name:

9-benzyl-8-bromo-2-chloro-9H-purin-6-amine

9-benzyl-8-bromo-2-chloroadenine

Chemical Formula: C12H9BrClN5
Exact Mass: 336.97
Molecular Weight: 338.59
m/z: 338.97 (100.0%), 336.97 (77.2%), 340.97 (24.3%), 339.97 (14.8%), 337.98 (10.1%), 341.97 (3.6%), 337.97 (1.4%)

InChI
InChI=1S/C12H9BrClN5/c13-11-16-8-9(15)17-12(14)18-10(8)19(11)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,15,17,18)
InChI Key
IBDGPJOXWUWOHN-UHFFFAOYSA-N
Canonical SMILES
C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)Cl)N)N=C2Br

Specification

98%

U.S. (2013), US 8372836 B2 20130212

PCT Int. Appl. (2008), WO 2008047201 A2 20080424