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

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 7-benzyl-8-(4-benzyl-1-piperidyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 7-benzyl-8-(4-benzylpiperidin-1-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(4-benzylpiperidino)-1,3-dimethyl-xanthine Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

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