2-cyano-5-[3,4-diethyl-5-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-benzoic acid

Systemtic Name: 2-cyano-5-[3,4-diethyl-5-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-benzoic acid Openeye Name: 2-cyano-5-(3,4-diethyl-5-methyl-2,6-dioxo-pyrimidin-1-yl)-4-fluoro-benzoic acid CAS Name: 2-cyano-5-(3,4-diethyl-5-methyl-2,6-dioxo-1-pyrimidinyl)-4-fluorobenzoic acid IUPAC Name: 2-cyano-5-(3,4-diethyl-5-methyl-2,6-dioxopyrimidin-1-yl)-4-fluorobenzoic acid Traditional Name: 2-cyano-5-(3,4-diethyl-2,6-diketo-5-methyl-pyrimidin-1-yl)-4-fluoro-benzoic acid Formula: C17H16FN3O4 MolecularWeight: 345.325043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(C(=O)N1CC)C2=C(C=C(C(=C2)C(=O)O)C#N)F)C

Isomeric SMILES

CCC1=C(C(=O)N(C(=O)N1CC)C2=C(C=C(C(=C2)C(=O)O)C#N)F)C

InChI

InChI=1S/C17H16FN3O4/c1-4-13-9(3)15(22)21(17(25)20(13)5-2)14-7-11(16(23)24)10(8-19)6-12(14)18/h6-7H,4-5H2,1-3H3,(H,23,24)