6-[(3-hydroxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-1H-pyrimidin-4-one

Systemtic Name: 6-[(3-hydroxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-1H-pyrimidin-4-one Openeye Name: 6-[(3-hydroxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-5-methyl-1H-pyrimidin-4-one CAS Name: 6-[(3-hydroxyphenyl)methyl]-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-5-methyl-1H-pyrimidin-4-one IUPAC Name: 6-[(3-hydroxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5-methyl-1H-pyrimidin-4-one Traditional Name: 6-(3-hydroxybenzyl)-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-5-methyl-1H-pyrimidin-4-one Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)OC)CC3=CC(=CC=C3)O

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)OC)CC3=CC(=CC=C3)O

InChI

InChI=1S/C21H20N2O4S/c1-13-18(11-14-4-3-5-16(24)10-14)22-21(23-20(13)26)28-12-19(25)15-6-8-17(27-2)9-7-15/h3-10,24H,11-12H2,1-2H3,(H,22,23,26)