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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCC6=CC=CC=C6

InChI

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