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

Systemtic Name: 3-methyl-7-[(2-methylphenyl)methyl]-8-(4-methylpiperazin-1-yl)purine-2,6-dione Openeye Name: 3-methyl-8-(4-methylpiperazin-1-yl)-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(2-methylphenyl)methyl]-8-(4-methyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(2-methylphenyl)methyl]-8-(4-methylpiperazin-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylbenzyl)-8-(4-methylpiperazino)xanthine Formula: C19H24N6O2 MolecularWeight: 368.43286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)NC3=O)C

InChI

InChI=1S/C19H24N6O2/c1-13-6-4-5-7-14(13)12-25-15-16(23(3)19(27)21-17(15)26)20-18(25)24-10-8-22(2)9-11-24/h4-7H,8-12H2,1-3H3,(H,21,26,27)