3-methyl-8-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 3-methyl-8-[4-(m-tolylmethyl)piperazin-1-yl]-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 3-methyl-8-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 3-methyl-8-[4-(3-methylbenzyl)piperazino]-7-(1-naphthylmethyl)xanthine Formula: C29H30N6O2 MolecularWeight: 494.5875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=NC4=C(N3CC5=CC=CC6=CC=CC=C65)C(=O)NC(=O)N4C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=NC4=C(N3CC5=CC=CC6=CC=CC=C65)C(=O)NC(=O)N4C

InChI

InChI=1S/C29H30N6O2/c1-20-7-5-8-21(17-20)18-33-13-15-34(16-14-33)28-30-26-25(27(36)31-29(37)32(26)2)35(28)19-23-11-6-10-22-9-3-4-12-24(22)23/h3-12,17H,13-16,18-19H2,1-2H3,(H,31,36,37)