2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-methoxy-4-oxidanyl-phenyl)ethanone hydrochloride

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-methoxy-4-oxidanyl-phenyl)ethanone hydrochloride Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-hydroxy-3-methoxy-phenyl)ethanone hydrochloride CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(4-hydroxy-3-methoxyphenyl)ethanone hydrochloride IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-hydroxy-3-methoxyphenyl)ethanone hydrochloride Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(4-hydroxy-3-methoxy-phenyl)ethanone hydrochloride Formula: C15H17ClN2O3S MolecularWeight: 340.82508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC(=C(C=C2)O)OC)C.Cl

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC(=C(C=C2)O)OC)C.Cl

InChI

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