6-[bis(fluoranyl)methyl]-5-ethyl-2-(3-fluorophenyl)-3-prop-2-ynyl-pyrimidin-4-one

Systemtic Name: 6-[bis(fluoranyl)methyl]-5-ethyl-2-(3-fluorophenyl)-3-prop-2-ynyl-pyrimidin-4-one Openeye Name: 6-(difluoromethyl)-5-ethyl-2-(3-fluorophenyl)-3-prop-2-ynyl-pyrimidin-4-one CAS Name: 6-(difluoromethyl)-5-ethyl-2-(3-fluorophenyl)-3-prop-2-ynyl-4-pyrimidinone IUPAC Name: 6-(difluoromethyl)-5-ethyl-2-(3-fluorophenyl)-3-prop-2-ynylpyrimidin-4-one Traditional Name: 6-(difluoromethyl)-5-ethyl-2-(3-fluorophenyl)-3-propargyl-pyrimidin-4-one Formula: C16H13F3N2O MolecularWeight: 306.28243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N2O/c1-3-8-21-15(10-6-5-7-11(17)9-10)20-13(14(18)19)12(4-2)16(21)22/h1,5-7,9,14H,4,8H2,2H3