5-ethyl-2-(1-oxidanidylpyridin-1-ium-4-yl)-3-prop-2-ynyl-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 5-ethyl-2-(1-oxidanidylpyridin-1-ium-4-yl)-3-prop-2-ynyl-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 5-ethyl-2-(1-oxidopyridin-1-ium-4-yl)-3-prop-2-ynyl-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 5-ethyl-2-(1-oxido-4-pyridin-1-iumyl)-3-prop-2-ynyl-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 5-ethyl-2-(1-oxidopyridin-1-ium-4-yl)-3-prop-2-ynyl-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 5-ethyl-2-(1-oxidopyridin-1-ium-4-yl)-3-propargyl-6-(trifluoromethyl)pyrimidin-4-one Formula: C15H12F3N3O2 MolecularWeight: 323.26989

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N(C1=O)CC#C)C2=CC=[N+](C=C2)[O-])C(F)(F)F

Isomeric SMILES

CCC1=C(N=C(N(C1=O)CC#C)C2=CC=[N+](C=C2)[O-])C(F)(F)F

InChI

InChI=1S/C15H12F3N3O2/c1-3-7-21-13(10-5-8-20(23)9-6-10)19-12(15(16,17)18)11(4-2)14(21)22/h1,5-6,8-9H,4,7H2,2H3