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

Systemtic Name: 8-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(4-benzhydrylpiperazin-4-ium-1-yl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(4-benzhydrylpiperazin-4-ium-1-yl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-(4-benzhydrylpiperazin-4-ium-1-yl)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C24H27N6O2+ MolecularWeight: 431.51018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H26N6O2/c1-27-21-19(22(31)28(2)24(27)32)25-23(26-21)30-15-13-29(14-16-30)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,20H,13-16H2,1-2H3,(H,25,26)/p+1