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

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(4-pyrimidin-2-ylpiperazin-1-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(p-tolylmethyl)-8-(4-pyrimidin-2-ylpiperazin-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[4-(2-pyrimidinyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(4-pyrimidin-2-ylpiperazin-1-yl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-[4-(2-pyrimidyl)piperazino]xanthine Formula: C23H26N8O2 MolecularWeight: 446.50494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N8O2/c1-16-5-7-17(8-6-16)15-31-18-19(27(2)23(33)28(3)20(18)32)26-22(31)30-13-11-29(12-14-30)21-24-9-4-10-25-21/h4-10H,11-15H2,1-3H3