7-[3-[4-[(4-methoxyphenyl)-phenyl-methoxy]piperidin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[4-[(4-methoxyphenyl)-phenyl-methoxy]piperidin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-[(4-methoxyphenyl)-phenyl-methoxy]-1-piperidyl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-[(4-methoxyphenyl)-phenylmethoxy]-1-piperidinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-[(4-methoxyphenyl)-phenyl-methoxy]piperidino]propyl]-1,3-dimethyl-xanthine Formula: C29H35N5O4 MolecularWeight: 517.6193

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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=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H35N5O4/c1-31-27-25(28(35)32(2)29(31)36)34(20-30-27)17-7-16-33-18-14-24(15-19-33)38-26(21-8-5-4-6-9-21)22-10-12-23(37-3)13-11-22/h4-6,8-13,20,24,26H,7,14-19H2,1-3H3