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

Systemtic Name: 2-[8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: 2-[8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[8-(4-ethyl-1-piperazin-4-iumyl)-3-methyl-2,6-dioxo-7-purinyl]acetate IUPAC Name: 2-[8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[8-(4-ethylpiperazin-4-ium-1-yl)-2,6-diketo-3-methyl-purin-7-yl]acetate Formula: C14H20N6O4 MolecularWeight: 336.3464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O4/c1-3-18-4-6-19(7-5-18)13-15-11-10(20(13)8-9(21)22)12(23)16-14(24)17(11)2/h3-8H2,1-2H3,(H,21,22)(H,16,23,24)