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

Systemtic Name: 1,3-dimethyl-7-phenacyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-1,3-dimethyl-7-phenacyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenacyl-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-1,3-dimethyl-7-phenacylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-1,3-dimethyl-7-phenacyl-xanthine Formula: C27H29N5O3 MolecularWeight: 471.55086

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O3/c1-29-24-23(25(34)30(2)27(29)35)32(18-22(33)21-11-7-4-8-12-21)26(28-24)31-15-13-20(14-16-31)17-19-9-5-3-6-10-19/h3-12,20H,13-18H2,1-2H3