6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methyl-5-[2-(phenylmethyl)sulfinylethyl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methyl-5-[2-(phenylmethyl)sulfinylethyl]-1H-pyrimidin-4-one Openeye Name: 5-(2-benzylsulfinylethyl)-6-[(E)-2-(4-hydroxyphenyl)vinyl]-2-methyl-1H-pyrimidin-4-one CAS Name: 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methyl-5-[2-(phenylmethyl)sulfinylethyl]-1H-pyrimidin-4-one IUPAC Name: 5-(2-benzylsulfinylethyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methyl-1H-pyrimidin-4-one Traditional Name: 5-(2-benzylsulfinylethyl)-6-[(E)-2-(4-hydroxyphenyl)vinyl]-2-methyl-1H-pyrimidin-4-one Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-16-23-21(12-9-17-7-10-19(25)11-8-17)20(22(26)24-16)13-14-28(27)15-18-5-3-2-4-6-18/h2-12,25H,13-15H2,1H3,(H,23,24,26)/b12-9+