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

Systemtic Name: 5-(3-methylbutyl)-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one Openeye Name: 5-isopentyl-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-4-one CAS Name: 5-(3-methylbutyl)-6-[(E)-2-(3-pyridinyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 5-(3-methylbutyl)-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-4-one Formula: C16H19N3O MolecularWeight: 269.34156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(NC=NC1=O)C=CC2=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O/c1-12(2)5-7-14-15(18-11-19-16(14)20)8-6-13-4-3-9-17-10-13/h3-4,6,8-12H,5,7H2,1-2H3,(H,18,19,20)/b8-6+