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

Systemtic Name: 5-(3-methylbutyl)-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one Openeye Name: 5-isopentyl-6-[(E)-2-(4-pyridyl)vinyl]-1H-pyrimidin-4-one CAS Name: 5-(3-methylbutyl)-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one IUPAC Name: 5-(3-methylbutyl)-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-6-[(E)-2-(4-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=CC=NC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O/c1-12(2)3-5-14-15(18-11-19-16(14)20)6-4-13-7-9-17-10-8-13/h4,6-12H,3,5H2,1-2H3,(H,18,19,20)/b6-4+