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

Systemtic Name: ethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-8-yl]ethanoate Openeye Name: ethyl 2-(1,3-dimethyl-2,6-dioxo-purin-3-ium-8-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-8-purin-3-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(1,3-dimethyl-2,6-dioxopurin-3-ium-8-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-3-ium-8-yl)acetic acid ethyl ester Formula: C11H13N4O4+ MolecularWeight: 265.24532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC2=[N+](C(=O)N(C(=O)C2=N1)C)C

Isomeric SMILES

CCOC(=O)CC1=NC2=[N+](C(=O)N(C(=O)C2=N1)C)C

InChI

InChI=1S/C11H13N4O4/c1-4-19-7(16)5-6-12-8-9(13-6)14(2)11(18)15(3)10(8)17/h4-5H2,1-3H3/q+1