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

Systemtic Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]purine-2,6-dione Openeye Name: 3-methyl-7-(p-tolylmethyl)-8-[4-(p-tolylmethyl)piperazin-1-yl]purine-2,6-dione CAS Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-[4-[(4-methylphenyl)methyl]-1-piperazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]purine-2,6-dione Traditional Name: 3-methyl-7-(4-methylbenzyl)-8-[4-(4-methylbenzyl)piperazino]xanthine Formula: C26H30N6O2 MolecularWeight: 458.5554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C3=NC4=C(N3CC5=CC=C(C=C5)C)C(=O)NC(=O)N4C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C3=NC4=C(N3CC5=CC=C(C=C5)C)C(=O)NC(=O)N4C

InChI

InChI=1S/C26H30N6O2/c1-18-4-8-20(9-5-18)16-30-12-14-31(15-13-30)25-27-23-22(24(33)28-26(34)29(23)3)32(25)17-21-10-6-19(2)7-11-21/h4-11H,12-17H2,1-3H3,(H,28,33,34)