(5-ethyl-6-oxidanylidene-2-phenyl-1-prop-2-ynyl-pyrimidin-4-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (5-ethyl-6-oxidanylidene-2-phenyl-1-prop-2-ynyl-pyrimidin-4-yl) tris(fluoranyl)methanesulfonate Openeye Name: (5-ethyl-6-oxo-2-phenyl-1-prop-2-ynyl-pyrimidin-4-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (5-ethyl-6-oxo-2-phenyl-1-prop-2-ynyl-4-pyrimidinyl) ester IUPAC Name: (5-ethyl-6-oxo-2-phenyl-1-prop-2-ynylpyrimidin-4-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (5-ethyl-6-keto-2-phenyl-1-propargyl-pyrimidin-4-yl) ester Formula: C16H13F3N2O4S MolecularWeight: 386.34563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N(C1=O)CC#C)C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCC1=C(N=C(N(C1=O)CC#C)C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H13F3N2O4S/c1-3-10-21-13(11-8-6-5-7-9-11)20-14(12(4-2)15(21)22)25-26(23,24)16(17,18)19/h1,5-9H,4,10H2,2H3