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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-2-methyl-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-2-methyl-6-[(E)-2-(4-pyridyl)vinyl]-1H-pyrimidin-4-one CAS Name: 5-[(2,5-dimethylphenyl)methyl]-2-methyl-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-2-methyl-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one Traditional Name: 5-(2,5-dimethylbenzyl)-2-methyl-6-[(E)-2-(4-pyridyl)vinyl]-1H-pyrimidin-4-one Formula: C21H21N3O MolecularWeight: 331.41094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O/c1-14-4-5-15(2)18(12-14)13-19-20(23-16(3)24-21(19)25)7-6-17-8-10-22-11-9-17/h4-12H,13H2,1-3H3,(H,23,24,25)/b7-6+