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

Systemtic Name: 1,3-dimethyl-8-[4-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoyl]piperazin-1-yl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[4-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]piperazin-1-yl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-1-piperazinyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[4-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]piperazin-1-yl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[4-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]piperazino]-7H-purine-2,6-quinone Formula: C23H31N8O3+ MolecularWeight: 467.54404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C23H30N8O3/c1-26-20-19(21(33)27(2)23(26)34)24-22(25-20)31-14-12-30(13-15-31)18(32)16-28-8-10-29(11-9-28)17-6-4-3-5-7-17/h3-7H,8-16H2,1-2H3,(H,24,25)/p+1