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

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(m-tolylmethyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-piperazino-xanthine Formula: C19H24N6O2 MolecularWeight: 368.43286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C

InChI

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