5-[2-[(2,4-dimethylphenyl)methylsulfinyl]ethyl]-2-methyl-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one

Systemtic Name: 5-[2-[(2,4-dimethylphenyl)methylsulfinyl]ethyl]-2-methyl-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one Openeye Name: 5-[2-[(2,4-dimethylphenyl)methylsulfinyl]ethyl]-2-methyl-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-4-one CAS Name: 5-[2-[(2,4-dimethylphenyl)methylsulfinyl]ethyl]-2-methyl-6-[(E)-2-(3-pyridinyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 5-[2-[(2,4-dimethylphenyl)methylsulfinyl]ethyl]-2-methyl-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one Traditional Name: 5-[2-(2,4-dimethylbenzyl)sulfinylethyl]-2-methyl-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-4-one Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CS(=O)CCC2=C(NC(=NC2=O)C)C=CC3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CS(=O)CCC2=C(NC(=NC2=O)C)/C=C/C3=CN=CC=C3)C

InChI

InChI=1S/C23H25N3O2S/c1-16-6-8-20(17(2)13-16)15-29(28)12-10-21-22(25-18(3)26-23(21)27)9-7-19-5-4-11-24-14-19/h4-9,11,13-14H,10,12,15H2,1-3H3,(H,25,26,27)/b9-7+