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

Systemtic Name: 3-methyl-8-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-isobutyl-3-methyl-8-[4-(m-tolylmethyl)piperazin-1-yl]purine-2,6-dione CAS Name: 3-methyl-8-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-isobutyl-3-methyl-8-[4-(3-methylbenzyl)piperazino]xanthine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=NC4=C(N3CC(C)C)C(=O)NC(=O)N4C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=NC4=C(N3CC(C)C)C(=O)NC(=O)N4C

InChI

InChI=1S/C22H30N6O2/c1-15(2)13-28-18-19(25(4)22(30)24-20(18)29)23-21(28)27-10-8-26(9-11-27)14-17-7-5-6-16(3)12-17/h5-7,12,15H,8-11,13-14H2,1-4H3,(H,24,29,30)