butyl 2-[5-cyano-3-ethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]ethanoate

Systemtic Name: butyl 2-[5-cyano-3-ethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]ethanoate Openeye Name: butyl 2-(5-cyano-3-ethyl-2,6-dioxo-pyrimidin-1-yl)acetate CAS Name: 2-(5-cyano-3-ethyl-2,6-dioxo-1-pyrimidinyl)acetic acid butyl ester IUPAC Name: butyl 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate Traditional Name: 2-(5-cyano-3-ethyl-2,6-diketo-pyrimidin-1-yl)acetic acid butyl ester Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C(=O)C(=CN(C1=O)CC)C#N

Isomeric SMILES

CCCCOC(=O)CN1C(=O)C(=CN(C1=O)CC)C#N

InChI

InChI=1S/C13H17N3O4/c1-3-5-6-20-11(17)9-16-12(18)10(7-14)8-15(4-2)13(16)19/h8H,3-6,9H2,1-2H3