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

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCC(CC4)CC5=CC=CC=C5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCC(CC4)CC5=CC=CC=C5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C27H31N5O2/c1-19-9-11-22(12-10-19)18-32-23-24(29(2)27(34)30(3)25(23)33)28-26(32)31-15-13-21(14-16-31)17-20-7-5-4-6-8-20/h4-12,21H,13-18H2,1-3H3