5-(4,6-dimethoxy-2-methylsulfanyl-pyrimidin-5-yl)-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 5-(4,6-dimethoxy-2-methylsulfanyl-pyrimidin-5-yl)-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 5-(4,6-dimethoxy-2-methylsulfanyl-pyrimidin-5-yl)-3-hydroxy-cyclohex-2-en-1-one CAS Name: 5-[4,6-dimethoxy-2-(methylthio)-5-pyrimidinyl]-3-hydroxy-1-cyclohex-2-enone IUPAC Name: 5-(4,6-dimethoxy-2-methylsulfanylpyrimidin-5-yl)-3-hydroxycyclohex-2-en-1-one Traditional Name: 5-[4,6-dimethoxy-2-(methylthio)pyrimidin-5-yl]-3-hydroxy-cyclohex-2-en-1-one Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC(=N1)SC)OC)C2CC(=CC(=O)C2)O

Isomeric SMILES

COC1=C(C(=NC(=N1)SC)OC)C2CC(=CC(=O)C2)O

InChI

InChI=1S/C13H16N2O4S/c1-18-11-10(7-4-8(16)6-9(17)5-7)12(19-2)15-13(14-11)20-3/h6-7,16H,4-5H2,1-3H3