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

Systemtic Name: 8-[4-(diphenylmethyl)piperazin-1-yl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(4-benzhydrylpiperazin-1-yl)-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[4-(diphenylmethyl)-1-piperazinyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(4-benzhydrylpiperazin-1-yl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(4-benzhydrylpiperazino)-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C32H34N6O2 MolecularWeight: 534.65136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C32H34N6O2/c1-23-11-10-12-24(21-23)22-38-28-29(34(2)32(40)35(3)30(28)39)33-31(38)37-19-17-36(18-20-37)27(25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-16,21,27H,17-20,22H2,1-3H3