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

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[4-(phenylcarbonyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzoylpiperazin-1-yl)-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(4-benzoyl-1-piperazinyl)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(4-benzoylpiperazin-1-yl)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(4-benzoylpiperazino)-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C26H28N6O3 MolecularWeight: 472.53892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N6O3/c1-18-9-11-19(12-10-18)17-32-21-22(28(2)26(35)29(3)24(21)34)27-25(32)31-15-13-30(14-16-31)23(33)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3