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

Systemtic Name: 2-methyl-5-(2-methylpropyl)-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one Openeye Name: 5-isobutyl-2-methyl-6-[(E)-2-(4-pyridyl)vinyl]-1H-pyrimidin-4-one CAS Name: 2-methyl-5-(2-methylpropyl)-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-(2-methylpropyl)-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one Traditional Name: 5-isobutyl-2-methyl-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:

CC1=NC(=O)C(=C(N1)C=CC2=CC=NC=C2)CC(C)C

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=CC=NC=C2)CC(C)C

InChI

InChI=1S/C16H19N3O/c1-11(2)10-14-15(18-12(3)19-16(14)20)5-4-13-6-8-17-9-7-13/h4-9,11H,10H2,1-3H3,(H,18,19,20)/b5-4+