3-methyl-8-(4-methylpiperidin-1-yl)-1,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperidin-1-yl)-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-3-methyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-8-(4-methyl-1-piperidinyl)-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 1,7-dibenzyl-3-methyl-8-(4-methylpiperidino)xanthine Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC5=CC=CC=C5

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2/c1-19-13-15-29(16-14-19)25-27-23-22(30(25)17-20-9-5-3-6-10-20)24(32)31(26(33)28(23)2)18-21-11-7-4-8-12-21/h3-12,19H,13-18H2,1-2H3