methyl 4-[2-[5-cyano-2-(4-fluorophenyl)-6-oxidanylidene-pyrimidin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-cyano-2-(4-fluorophenyl)-6-oxidanylidene-pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-cyano-2-(4-fluorophenyl)-6-oxo-pyrimidin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[5-cyano-2-(4-fluorophenyl)-6-oxo-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-cyano-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-cyano-2-(4-fluorophenyl)-6-keto-pyrimidin-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C21H15FN4O4 MolecularWeight: 406.366603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=NC=C(C2=O)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=NC=C(C2=O)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H15FN4O4/c1-30-21(29)14-4-8-17(9-5-14)25-18(27)12-26-19(13-2-6-16(22)7-3-13)24-11-15(10-23)20(26)28/h2-9,11H,12H2,1H3,(H,25,27)