2-(2-chloranylpyridin-4-yl)-5-methyl-3-prop-2-ynyl-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 2-(2-chloranylpyridin-4-yl)-5-methyl-3-prop-2-ynyl-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 2-(2-chloro-4-pyridyl)-5-methyl-3-prop-2-ynyl-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 2-(2-chloro-4-pyridinyl)-5-methyl-3-prop-2-ynyl-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 2-(2-chloropyridin-4-yl)-5-methyl-3-prop-2-ynyl-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 2-(2-chloro-4-pyridyl)-5-methyl-3-propargyl-6-(trifluoromethyl)pyrimidin-4-one Formula: C14H9ClF3N3O MolecularWeight: 327.68897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N(C1=O)CC#C)C2=CC(=NC=C2)Cl)C(F)(F)F

Isomeric SMILES

CC1=C(N=C(N(C1=O)CC#C)C2=CC(=NC=C2)Cl)C(F)(F)F

InChI

InChI=1S/C14H9ClF3N3O/c1-3-6-21-12(9-4-5-19-10(15)7-9)20-11(14(16,17)18)8(2)13(21)22/h1,4-5,7H,6H2,2H3