6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-6-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-2-methyl-1H-pyrimidin-4-one CAS Name: 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-methyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-6-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-2-methyl-1H-pyrimidin-4-one Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=CC2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3/c1-15-23-19(11-9-17-10-12-20(26-2)21(14-17)27-3)18(22(25)24-15)13-16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,23,24,25)/b11-9+