CAS Registry Number: 79064-26-9
 Name:

9-benzyl-2,6-dichloro-9H-purine

9-benzyl-2,6-dichloropurine; 2,6-dichloro-9-benzylpurine

Chemical Formula: C12H8Cl2N4
Exact Mass: 278.01
Molecular Weight: 279.12
m/z: 278.01 (100.0%), 280.01 (64.1%), 279.02 (13.1%), 282.01 (10.3%), 281.01 (9.2%), 279.01 (1.5%), 283.01 (1.3%)

InChI
InChI=1S/C12H8Cl2N4/c13-10-9-11(17-12(14)16-10)18(7-15-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChI Key
CUYCHULDTCBWLI-UHFFFAOYSA-N
Canonical SMILES
C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)Cl

Specification

98%

Journal of Organic Chemistry (2018), 83(7), 3710-3718

Bioorganic & Medicinal Chemistry (2017), 25(24), 6523-6535