2-[3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: 2-[3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: 2-[3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-dioxo-purin-7-yl]acetamide CAS Name: 2-[3-methyl-8-(4-methyl-1-piperazin-4-iumyl)-2,6-dioxo-7-purinyl]acetamide IUPAC Name: 2-[3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-dioxopurin-7-yl]acetamide Traditional Name: 2-[2,6-diketo-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purin-7-yl]acetamide Formula: C13H20N7O3+ MolecularWeight: 322.343

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(N2CC(=O)N)C(=O)NC(=O)N3C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(N2CC(=O)N)C(=O)NC(=O)N3C

InChI

InChI=1S/C13H19N7O3/c1-17-3-5-19(6-4-17)12-15-10-9(20(12)7-8(14)21)11(22)16-13(23)18(10)2/h3-7H2,1-2H3,(H2,14,21)(H,16,22,23)/p+1