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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=O)N(C1=O)C2=C(C=C(C(=C2)C(=O)O)C#N)F)C(C)C

Isomeric SMILES

CCN1C(=CC(=O)N(C1=O)C2=C(C=C(C(=C2)C(=O)O)C#N)F)C(C)C

InChI

InChI=1S/C17H16FN3O4/c1-4-20-13(9(2)3)7-15(22)21(17(20)25)14-6-11(16(23)24)10(8-19)5-12(14)18/h5-7,9H,4H2,1-3H3,(H,23,24)