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

Systemtic Name: 7-[3-[4-[(4-methoxyphenyl)-phenyl-methyl]piperidin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-[(4-methoxyphenyl)-phenyl-methyl]-1-piperidyl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-[(4-methoxyphenyl)-phenylmethyl]-1-piperidinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-[(4-methoxyphenyl)-phenylmethyl]piperidin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-[(4-methoxyphenyl)-phenyl-methyl]piperidino]propyl]-1,3-dimethyl-xanthine Formula: C29H35N5O3 MolecularWeight: 501.6199

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H35N5O3/c1-31-27-26(28(35)32(2)29(31)36)34(20-30-27)17-7-16-33-18-14-23(15-19-33)25(21-8-5-4-6-9-21)22-10-12-24(37-3)13-11-22/h4-6,8-13,20,23,25H,7,14-19H2,1-3H3