2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazin-1-ium-1-yl]ethyl ethanoate

Systemtic Name: 2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazin-1-ium-1-yl]ethyl ethanoate Openeye Name: 2-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazin-1-ium-1-yl]ethyl acetate CAS Name: acetic acid 2-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazin-1-ium-1-yl]ethyl acetate Traditional Name: acetic acid 2-[4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)piperazin-1-ium-1-yl]ethyl ester Formula: C15H23N6O4+ MolecularWeight: 351.38092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC[NH+]1CCN(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=O)OCC[NH+]1CCN(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C15H22N6O4/c1-10(22)25-9-8-20-4-6-21(7-5-20)14-16-11-12(17-14)18(2)15(24)19(3)13(11)23/h4-9H2,1-3H3,(H,16,17)/p+1