7-[3-(diphenylmethyl)oxypiperidin-1-yl]-1,3-dimethyl-8-propyl-purine-2,6-dione

Systemtic Name: 7-[3-(diphenylmethyl)oxypiperidin-1-yl]-1,3-dimethyl-8-propyl-purine-2,6-dione Openeye Name: 7-(3-benzhydryloxy-1-piperidyl)-1,3-dimethyl-8-propyl-purine-2,6-dione CAS Name: 7-[3-(diphenylmethyl)oxy-1-piperidinyl]-1,3-dimethyl-8-propylpurine-2,6-dione IUPAC Name: 7-(3-benzhydryloxypiperidin-1-yl)-1,3-dimethyl-8-propylpurine-2,6-dione Traditional Name: 7-(3-benzhydryloxypiperidino)-1,3-dimethyl-8-propyl-xanthine Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1N3CCCC(C3)OC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC1=NC2=C(N1N3CCCC(C3)OC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C28H33N5O3/c1-4-12-23-29-26-24(27(34)31(3)28(35)30(26)2)33(23)32-18-11-17-22(19-32)36-25(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,22,25H,4,11-12,17-19H2,1-3H3