1-methyl-3,7-bis(phenylmethyl)-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 1-methyl-3,7-bis(phenylmethyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 1-methyl-3,7-bis(phenylmethyl)-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3,7-dibenzyl-1-methyl-8-piperidino-xanthine Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCCCC4)N(C1=O)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCCCC4)N(C1=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O2/c1-27-23(31)21-22(30(25(27)32)18-20-13-7-3-8-14-20)26-24(28-15-9-4-10-16-28)29(21)17-19-11-5-2-6-12-19/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3