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

Systemtic Name: 2-[1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: 2-[1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-dioxo-purin-7-yl]acetamide CAS Name: 2-[1,3-dimethyl-8-(4-methyl-1-piperazin-4-iumyl)-2,6-dioxo-7-purinyl]acetamide IUPAC Name: 2-[1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-dioxopurin-7-yl]acetamide Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)purin-7-yl]acetamide Formula: C14H22N7O3+ MolecularWeight: 336.36958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N7O3/c1-17-4-6-20(7-5-17)13-16-11-10(21(13)8-9(15)22)12(23)19(3)14(24)18(11)2/h4-8H2,1-3H3,(H2,15,22)/p+1