1-[3,4-bis(oxidanyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]ethanone Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)C2=CC(=C(C=C2)O)O)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)C2=CC(=C(C=C2)O)O)C

InChI

InChI=1S/C15H16N2O3S/c1-8-9(2)16-15(17-10(8)3)21-7-14(20)11-4-5-12(18)13(19)6-11/h4-6,18-19H,7H2,1-3H3