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

Systemtic Name: 1,3-dimethyl-8-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[4-(4-methylbenzoyl)piperazin-1-yl]-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[4-(4-methylbenzoyl)piperazin-1-yl]-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-(4-p-toluoylpiperazino)xanthine Formula: C27H30N6O3 MolecularWeight: 486.5655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O3/c1-18-5-9-20(10-6-18)17-33-22-23(29(3)27(36)30(4)25(22)35)28-26(33)32-15-13-31(14-16-32)24(34)21-11-7-19(2)8-12-21/h5-12H,13-17H2,1-4H3