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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2/c1-29-23-22(24(32)28-26(29)33)31(17-14-19-8-4-2-5-9-19)25(27-23)30-15-12-21(13-16-30)18-20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3,(H,28,32,33)