diethyl 2-[1-ethoxy-2-(5-fluoranyl-6-oxidanylidene-1H-pyrimidin-2-yl)-2-(4-fluorophenyl)ethyl]propanedioate

Systemtic Name: diethyl 2-[1-ethoxy-2-(5-fluoranyl-6-oxidanylidene-1H-pyrimidin-2-yl)-2-(4-fluorophenyl)ethyl]propanedioate Openeye Name: diethyl 2-[1-ethoxy-2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-(4-fluorophenyl)ethyl]propanedioate CAS Name: 2-[1-ethoxy-2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-(4-fluorophenyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-ethoxy-2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-(4-fluorophenyl)ethyl]propanedioate Traditional Name: 2-[1-ethoxy-2-(5-fluoro-6-keto-1H-pyrimidin-2-yl)-2-(4-fluorophenyl)ethyl]malonic acid diethyl ester Formula: C21H24F2N2O6 MolecularWeight: 438.421866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(C1=CC=C(C=C1)F)C2=NC=C(C(=O)N2)F)C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(C(C1=CC=C(C=C1)F)C2=NC=C(C(=O)N2)F)C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H24F2N2O6/c1-4-29-17(16(20(27)30-5-2)21(28)31-6-3)15(12-7-9-13(22)10-8-12)18-24-11-14(23)19(26)25-18/h7-11,15-17H,4-6H2,1-3H3,(H,24,25,26)