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

Systemtic Name: 7-[2-[4-(diphenylmethyl)oxypiperidin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(4-benzhydryloxy-1-piperidyl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(diphenylmethyl)oxy-1-piperidinyl]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(4-benzhydryloxypiperidino)ethyl]-1,3-dimethyl-xanthine Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5O3/c1-29-25-23(26(33)30(2)27(29)34)32(19-28-25)18-17-31-15-13-22(14-16-31)35-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22,24H,13-18H2,1-2H3