5-[2-[(4-ethoxyphenyl)methylsulfinyl]ethyl]-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[2-[(4-ethoxyphenyl)methylsulfinyl]ethyl]-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-benzyl-5-[2-[(4-ethoxyphenyl)methylsulfinyl]ethyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-[(4-ethoxyphenyl)methylsulfinyl]ethyl]-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-benzyl-5-[2-[(4-ethoxyphenyl)methylsulfinyl]ethyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-benzyl-5-[2-(4-ethoxybenzyl)sulfinylethyl]-6-methyl-1H-pyrimidin-4-one Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CS(=O)CCC2=C(NC(=NC2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CS(=O)CCC2=C(NC(=NC2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H26N2O3S/c1-3-28-20-11-9-19(10-12-20)16-29(27)14-13-21-17(2)24-22(25-23(21)26)15-18-7-5-4-6-8-18/h4-12H,3,13-16H2,1-2H3,(H,24,25,26)