1,3-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-pyridin-1-ium-2-ylpiperazino)-7H-purine-2,6-quinone Formula: C16H20N7O2+ MolecularWeight: 342.3757

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C16H19N7O2/c1-20-13-12(14(24)21(2)16(20)25)18-15(19-13)23-9-7-22(8-10-23)11-5-3-4-6-17-11/h3-6H,7-10H2,1-2H3,(H,18,19)/p+1