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

Systemtic Name: 5-ethyl-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-ethyl-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-ethyl-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-ethyl-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)OC)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C16H18N2O3S/c1-4-13-10(2)17-16(18-15(13)20)22-9-14(19)11-5-7-12(21-3)8-6-11/h5-8H,4,9H2,1-3H3,(H,17,18,20)