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

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(m-tolylmethyl)-8-[4-(2-pyridyl)piperazin-1-yl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[4-(2-pyridinyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-[4-(2-pyridyl)piperazino]xanthine Formula: C24H27N7O2 MolecularWeight: 445.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=N5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=N5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C24H27N7O2/c1-17-7-6-8-18(15-17)16-31-20-21(27(2)24(33)28(3)22(20)32)26-23(31)30-13-11-29(12-14-30)19-9-4-5-10-25-19/h4-10,15H,11-14,16H2,1-3H3