7-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(4-benzhydryloxy-1-piperidyl)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-(diphenylmethyl)oxy-1-piperidinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(4-benzhydryloxypiperidino)propyl]-1,3-dimethyl-xanthine Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H33N5O3/c1-30-26-24(27(34)31(2)28(30)35)33(20-29-26)17-9-16-32-18-14-23(15-19-32)36-25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23,25H,9,14-19H2,1-2H3