N-(1-adamantyl)-9-[[3-(chloromethyl)phenyl]methyl]purin-6-amine

Systemtic Name: N-(1-adamantyl)-9-[[3-(chloromethyl)phenyl]methyl]purin-6-amine Openeye Name: N-(1-adamantyl)-9-[[3-(chloromethyl)phenyl]methyl]purin-6-amine CAS Name: N-(1-adamantyl)-9-[[3-(chloromethyl)phenyl]methyl]-6-purinamine IUPAC Name: N-(1-adamantyl)-9-[[3-(chloromethyl)phenyl]methyl]purin-6-amine Traditional Name: 1-adamantyl-[9-[3-(chloromethyl)benzyl]purin-6-yl]amine Formula: C23H26ClN5 MolecularWeight: 407.93904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC5=C4N=CN5CC6=CC(=CC=C6)CCl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC5=C4N=CN5CC6=CC(=CC=C6)CCl

InChI

InChI=1S/C23H26ClN5/c24-11-15-2-1-3-16(4-15)12-29-14-27-20-21(25-13-26-22(20)29)28-23-8-17-5-18(9-23)7-19(6-17)10-23/h1-4,13-14,17-19H,5-12H2,(H,25,26,28)