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

Systemtic Name: 5-[(2,4-dimethylphenyl)methyl]-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one Openeye Name: 5-[(2,4-dimethylphenyl)methyl]-6-[(E)-styryl]-1H-pyrimidin-4-one CAS Name: 5-[(2,4-dimethylphenyl)methyl]-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one IUPAC Name: 5-[(2,4-dimethylphenyl)methyl]-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one Traditional Name: 5-(2,4-dimethylbenzyl)-6-[(E)-styryl]-1H-pyrimidin-4-one Formula: C21H20N2O MolecularWeight: 316.3963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC2=C(NC=NC2=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC2=C(NC=NC2=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O/c1-15-8-10-18(16(2)12-15)13-19-20(22-14-23-21(19)24)11-9-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,22,23,24)/b11-9+