2-methyl-5-octyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one

Systemtic Name: 2-methyl-5-octyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one Openeye Name: 2-methyl-5-octyl-6-[(E)-styryl]-1H-pyrimidin-4-one CAS Name: 2-methyl-5-octyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-octyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one Traditional Name: 2-methyl-5-octyl-6-[(E)-styryl]-1H-pyrimidin-4-one Formula: C21H28N2O MolecularWeight: 324.45982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(NC(=NC1=O)C)C=CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=C(NC(=NC1=O)C)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H28N2O/c1-3-4-5-6-7-11-14-19-20(22-17(2)23-21(19)24)16-15-18-12-9-8-10-13-18/h8-10,12-13,15-16H,3-7,11,14H2,1-2H3,(H,22,23,24)/b16-15+