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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)CC5=CC=CC=C5C)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)CC5=CC=CC=C5C)N(C(=O)NC3=O)C

InChI

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