CAS Registry Number: 229025-09-6
 Name:

6-amino-9-benzyl-2-chloro-7H-purin-8(9H)-one

9-benzyl-2-chloro-8-hydroxyadenine

Chemical Formula: C12H10ClN5O
Exact Mass: 275.06
Molecular Weight: 275.69
m/z: 275.06 (100.0%), 277.05 (32.0%), 276.06 (13.1%), 278.06 (4.2%), 276.05 (1.8%), 277.06 (1.2%)

InChI
InChI=1S/C12H10ClN5O/c13-11-16-9(14)8-10(17-11)18(12(19)15-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,15,19)(H2,14,16,17)
InChI Key
YOLXCGMFWWZBBQ-UHFFFAOYSA-N
Canonical SMILES
C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)Cl)N)NC2=O

Specification

98%

PCT Int. Appl., 2013068438, 16 May 2013

PCT Int. Appl., 2006117670, 09 Nov 2006