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

Systemtic Name: 2-cyano-4-fluoranyl-5-[3-methyl-2,6-bis(oxidanylidene)-4-propan-2-yl-pyrimidin-1-yl]benzoic acid Openeye Name: 2-cyano-4-fluoro-5-(4-isopropyl-3-methyl-2,6-dioxo-pyrimidin-1-yl)benzoic acid CAS Name: 2-cyano-4-fluoro-5-(3-methyl-2,6-dioxo-4-propan-2-yl-1-pyrimidinyl)benzoic acid IUPAC Name: 2-cyano-4-fluoro-5-(3-methyl-2,6-dioxo-4-propan-2-ylpyrimidin-1-yl)benzoic acid Traditional Name: 2-cyano-4-fluoro-5-(4-isopropyl-2,6-diketo-3-methyl-pyrimidin-1-yl)benzoic acid Formula: C16H14FN3O4 MolecularWeight: 331.298463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)O)C#N)F

Isomeric SMILES

CC(C)C1=CC(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)O)C#N)F

InChI

InChI=1S/C16H14FN3O4/c1-8(2)12-6-14(21)20(16(24)19(12)3)13-5-10(15(22)23)9(7-18)4-11(13)17/h4-6,8H,1-3H3,(H,22,23)