8-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1,7-dimethyl-3-phenyl-purine-2,6-dione

Systemtic Name: 8-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1,7-dimethyl-3-phenyl-purine-2,6-dione Openeye Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1,7-dimethyl-3-phenyl-purine-2,6-dione CAS Name: 8-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,7-dimethyl-3-phenylpurine-2,6-dione IUPAC Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1,7-dimethyl-3-phenylpurine-2,6-dione Traditional Name: 8-[3-(4-benzhydrylpiperazino)propyl]-1,7-dimethyl-3-phenyl-xanthine Formula: C33H36N6O2 MolecularWeight: 548.67794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C)CCCN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C)CCCN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H36N6O2/c1-35-28(34-31-30(35)32(40)36(2)33(41)39(31)27-17-10-5-11-18-27)19-12-20-37-21-23-38(24-22-37)29(25-13-6-3-7-14-25)26-15-8-4-9-16-26/h3-11,13-18,29H,12,19-24H2,1-2H3