6-[(E)-2-(2-fluorophenyl)ethenyl]-5-(3-methylbutyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(E)-2-(2-fluorophenyl)ethenyl]-5-(3-methylbutyl)-1H-pyrimidin-4-one Openeye Name: 6-[(E)-2-(2-fluorophenyl)vinyl]-5-isopentyl-1H-pyrimidin-4-one CAS Name: 6-[(E)-2-(2-fluorophenyl)ethenyl]-5-(3-methylbutyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(E)-2-(2-fluorophenyl)ethenyl]-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 6-[(E)-2-(2-fluorophenyl)vinyl]-5-isoamyl-1H-pyrimidin-4-one Formula: C17H19FN2O MolecularWeight: 286.343963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(NC=NC1=O)C=CC2=CC=CC=C2F

Isomeric SMILES

CC(C)CCC1=C(NC=NC1=O)/C=C/C2=CC=CC=C2F

InChI

InChI=1S/C17H19FN2O/c1-12(2)7-9-14-16(19-11-20-17(14)21)10-8-13-5-3-4-6-15(13)18/h3-6,8,10-12H,7,9H2,1-2H3,(H,19,20,21)/b10-8+