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

Systemtic Name: 1,3-dimethyl-7-phenacyl-8-[[4-(phenylmethyl)piperidin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzyl-1-piperidyl)methyl]-1,3-dimethyl-7-phenacyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenacyl-8-[[4-(phenylmethyl)-1-piperidinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione Traditional Name: 8-[(4-benzylpiperidino)methyl]-1,3-dimethyl-7-phenacyl-xanthine Formula: C28H31N5O3 MolecularWeight: 485.57744

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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)CC(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O3/c1-30-26-25(27(35)31(2)28(30)36)33(18-23(34)22-11-7-4-8-12-22)24(29-26)19-32-15-13-21(14-16-32)17-20-9-5-3-6-10-20/h3-12,21H,13-19H2,1-2H3