9-[1-(4-methylphenyl)-3-phenylmethoxy-butan-2-yl]purin-6-amine

Systemtic Name: 9-[1-(4-methylphenyl)-3-phenylmethoxy-butan-2-yl]purin-6-amine Openeye Name: 9-[2-benzyloxy-1-(p-tolylmethyl)propyl]purin-6-amine CAS Name: 9-[1-(4-methylphenyl)-3-phenylmethoxybutan-2-yl]-6-purinamine IUPAC Name: 9-[1-(4-methylphenyl)-3-phenylmethoxybutan-2-yl]purin-6-amine Traditional Name: [9-[2-benzoxy-1-(4-methylbenzyl)propyl]purin-6-yl]amine Formula: C23H25N5O MolecularWeight: 387.4775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(C)OCC2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(C)OCC2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C23H25N5O/c1-16-8-10-18(11-9-16)12-20(17(2)29-13-19-6-4-3-5-7-19)28-15-27-21-22(24)25-14-26-23(21)28/h3-11,14-15,17,20H,12-13H2,1-2H3,(H2,24,25,26)