9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-6-phenylmethoxy-purine

Systemtic Name: 9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-6-phenylmethoxy-purine Openeye Name: 6-benzyloxy-9-[3-[4-(p-tolylmethyl)piperazin-1-yl]propyl]purine CAS Name: 9-[3-[4-[(4-methylphenyl)methyl]-1-piperazinyl]propyl]-6-phenylmethoxypurine IUPAC Name: 9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-6-phenylmethoxypurine Traditional Name: 6-benzoxy-9-[3-[4-(4-methylbenzyl)piperazino]propyl]purine Formula: C27H32N6O MolecularWeight: 456.58258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)CCCN3C=NC4=C3N=CN=C4OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)CCCN3C=NC4=C3N=CN=C4OCC5=CC=CC=C5

InChI

InChI=1S/C27H32N6O/c1-22-8-10-23(11-9-22)18-32-16-14-31(15-17-32)12-5-13-33-21-30-25-26(33)28-20-29-27(25)34-19-24-6-3-2-4-7-24/h2-4,6-11,20-21H,5,12-19H2,1H3