1,3-dimethyl-7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-9H-purin-7-ium-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-9H-purin-7-ium-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-9H-purin-7-ium-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-9H-purin-7-ium-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-9H-purin-7-ium-2,6-dione Traditional Name: 7-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C14H22N6O3+2 MolecularWeight: 322.36288

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H20N6O3/c1-16-4-6-19(7-5-16)10(21)8-20-9-15-12-11(20)13(22)18(3)14(23)17(12)2/h9H,4-8H2,1-3H3/p+2