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

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[4-(2-methylpropanoyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[4-(2-methylpropanoyl)piperazin-1-yl]-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[4-(2-methylpropanoyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 8-(4-isobutyrylpiperazino)-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C23H30N6O3 MolecularWeight: 438.5227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O3/c1-15(2)20(30)27-10-12-28(13-11-27)22-24-19-18(21(31)26(5)23(32)25(19)4)29(22)14-17-8-6-16(3)7-9-17/h6-9,15H,10-14H2,1-5H3