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

Systemtic Name: 1-[3-[(4,6-dimethylpyrimidin-2-yl)-sulfanyl-methyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[(4,6-dimethylpyrimidin-2-yl)-sulfanyl-methyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[(4,6-dimethyl-2-pyrimidinyl)-mercaptomethyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[(4,6-dimethylpyrimidin-2-yl)-sulfanylmethyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[(4,6-dimethylpyrimidin-2-yl)-mercapto-methyl]-4-ethoxy-phenyl]ethanone Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C(C2=NC(=CC(=N2)C)C)S

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C(C2=NC(=CC(=N2)C)C)S

InChI

InChI=1S/C17H20N2O2S/c1-5-21-15-7-6-13(12(4)20)9-14(15)16(22)17-18-10(2)8-11(3)19-17/h6-9,16,22H,5H2,1-4H3