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

Systemtic Name: 5-(3-methylbutyl)-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one Openeye Name: 5-isopentyl-6-[(E)-styryl]-1H-pyrimidin-4-one CAS Name: 5-(3-methylbutyl)-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one IUPAC Name: 5-(3-methylbutyl)-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-6-[(E)-styryl]-1H-pyrimidin-4-one Formula: C17H20N2O MolecularWeight: 268.3535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O/c1-13(2)8-10-15-16(18-12-19-17(15)20)11-9-14-6-4-3-5-7-14/h3-7,9,11-13H,8,10H2,1-2H3,(H,18,19,20)/b11-9+