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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)CC5=CC=CC6=CC=CC=C65)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)CC5=CC=CC6=CC=CC=C65)N(C(=O)NC3=O)C

InChI

InChI=1S/C29H30N6O2/c1-20-7-5-8-21(17-20)18-35-25-26(32(2)29(37)31-27(25)36)30-28(35)34-15-13-33(14-16-34)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)