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

Systemtic Name: 3-methyl-7-octyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-3-methyl-7-octyl-purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-3-methyl-7-octyl-xanthine Formula: C26H37N5O2 MolecularWeight: 451.60428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H37N5O2/c1-3-4-5-6-7-11-16-31-22-23(29(2)26(33)28-24(22)32)27-25(31)30-17-14-21(15-18-30)19-20-12-9-8-10-13-20/h8-10,12-13,21H,3-7,11,14-19H2,1-2H3,(H,28,32,33)