(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(2,4-dioxopyrimidin-1-yl)acetate CAS Name: 2-(2,4-dioxo-1-pyrimidinyl)acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(2,4-dioxopyrimidin-1-yl)acetate Traditional Name: 2-(2,4-diketopyrimidin-1-yl)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C12H12N4O5 MolecularWeight: 292.24748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CN1C=CC(=O)NC1=O

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CN1C=CC(=O)NC1=O

InChI

InChI=1S/C12H12N4O5/c1-7(14)8(4-13)9(17)6-21-11(19)5-16-3-2-10(18)15-12(16)20/h2-3,8,14H,5-6H2,1H3,(H,15,18,20)