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

Systemtic Name: 2-cyano-5-[3-ethyl-5-methyl-2,6-bis(oxidanylidene)-4-propan-2-yl-pyrimidin-1-yl]-4-fluoranyl-benzoic acid Openeye Name: 2-cyano-5-(3-ethyl-4-isopropyl-5-methyl-2,6-dioxo-pyrimidin-1-yl)-4-fluoro-benzoic acid CAS Name: 2-cyano-5-(3-ethyl-5-methyl-2,6-dioxo-4-propan-2-yl-1-pyrimidinyl)-4-fluorobenzoic acid IUPAC Name: 2-cyano-5-(3-ethyl-5-methyl-2,6-dioxo-4-propan-2-ylpyrimidin-1-yl)-4-fluorobenzoic acid Traditional Name: 2-cyano-5-(3-ethyl-4-isopropyl-2,6-diketo-5-methyl-pyrimidin-1-yl)-4-fluoro-benzoic acid Formula: C18H18FN3O4 MolecularWeight: 359.351623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O4/c1-5-21-15(9(2)3)10(4)16(23)22(18(21)26)14-7-12(17(24)25)11(8-20)6-13(14)19/h6-7,9H,5H2,1-4H3,(H,24,25)