1-[3,4-bis(oxidanyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC(=C(C=C2)O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC(=C(C=C2)O)O)C

InChI

InChI=1S/C14H14N2O3S/c1-8-5-9(2)16-14(15-8)20-7-13(19)10-3-4-11(17)12(18)6-10/h3-6,17-18H,7H2,1-2H3