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

Systemtic Name: 1,3-dimethyl-7-phenethyl-8-[[4-(phenylmethyl)piperidin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzyl-1-piperidyl)methyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenethyl-8-[[4-(phenylmethyl)-1-piperidinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[(4-benzylpiperidino)methyl]-1,3-dimethyl-7-phenethyl-xanthine Formula: C28H33N5O2 MolecularWeight: 471.59392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)CC4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)CC4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H33N5O2/c1-30-26-25(27(34)31(2)28(30)35)33(18-15-21-9-5-3-6-10-21)24(29-26)20-32-16-13-23(14-17-32)19-22-11-7-4-8-12-22/h3-12,23H,13-20H2,1-2H3