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

Systemtic Name: 7-[3-[4-(diphenylmethyl)piperidin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(4-benzhydryl-1-piperidyl)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-(diphenylmethyl)-1-piperidinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(4-benzhydrylpiperidin-1-yl)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(4-benzhydrylpiperidino)propyl]-1,3-dimethyl-xanthine Formula: C28H33N5O2 MolecularWeight: 471.59392

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O2/c1-30-26-25(27(34)31(2)28(30)35)33(20-29-26)17-9-16-32-18-14-23(15-19-32)24(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23-24H,9,14-19H2,1-2H3