[4-(4-fluorophenyl)-2-oxidanylidene-6-propan-2-yl-1H-pyrimidin-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(4-fluorophenyl)-2-oxidanylidene-6-propan-2-yl-1H-pyrimidin-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(4-fluorophenyl)-6-isopropyl-2-oxo-1H-pyrimidin-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl] ester IUPAC Name: [4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(4-fluorophenyl)-6-isopropyl-2-keto-1H-pyrimidin-5-yl] ester Formula: C14H12F4N2O4S MolecularWeight: 380.314693

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=O)N1)C2=CC=C(C=C2)F)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)C1=C(C(=NC(=O)N1)C2=CC=C(C=C2)F)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H12F4N2O4S/c1-7(2)10-12(24-25(22,23)14(16,17)18)11(20-13(21)19-10)8-3-5-9(15)6-4-8/h3-7H,1-2H3,(H,19,20,21)