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

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]ethanone Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C19H16N2O3S/c1-12-9-15(13-5-3-2-4-6-13)21-19(20-12)25-11-18(24)14-7-8-16(22)17(23)10-14/h2-10,22-23H,11H2,1H3