9-[(3R,4S)-1-(3-methylphenyl)-4-phenylmethoxy-pentan-3-yl]purin-6-amine

Systemtic Name: 9-[(3R,4S)-1-(3-methylphenyl)-4-phenylmethoxy-pentan-3-yl]purin-6-amine Openeye Name: 9-[(1R,2S)-2-benzyloxy-1-[2-(m-tolyl)ethyl]propyl]purin-6-amine CAS Name: 9-[(3R,4S)-1-(3-methylphenyl)-4-phenylmethoxypentan-3-yl]-6-purinamine IUPAC Name: 9-[(3R,4S)-1-(3-methylphenyl)-4-phenylmethoxypentan-3-yl]purin-6-amine Traditional Name: [9-[(1R,2S)-2-benzoxy-1-[2-(m-tolyl)ethyl]propyl]purin-6-yl]amine Formula: C24H27N5O MolecularWeight: 401.50408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)CC[C@H]([C@H](C)OCC2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C24H27N5O/c1-17-7-6-10-19(13-17)11-12-21(18(2)30-14-20-8-4-3-5-9-20)29-16-28-22-23(25)26-15-27-24(22)29/h3-10,13,15-16,18,21H,11-12,14H2,1-2H3,(H2,25,26,27)/t18-,21+/m0/s1