1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-ium-7-ylidene]ethyl ethanoate

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-ium-7-ylidene]ethyl ethanoate Openeye Name: 1-(1,3-dimethyl-2,6-dioxo-purin-7-ium-7-ylidene)ethyl acetate CAS Name: acetic acid 1-(1,3-dimethyl-2,6-dioxo-7-purin-7-iumylidene)ethyl ester IUPAC Name: 1-(1,3-dimethyl-2,6-dioxopurin-7-ium-7-ylidene)ethyl acetate Traditional Name: acetic acid 1-(2,6-diketo-1,3-dimethyl-purin-7-ium-7-ylidene)ethyl ester Formula: C11H13N4O4+ MolecularWeight: 265.24532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[N+]1C=NC2=C1C(=O)N(C(=O)N2C)C)OC(=O)C

Isomeric SMILES

CC(=[N+]1C=NC2=C1C(=O)N(C(=O)N2C)C)OC(=O)C

InChI

InChI=1S/C11H13N4O4/c1-6(19-7(2)16)15-5-12-9-8(15)10(17)14(4)11(18)13(9)3/h5H,1-4H3/q+1