1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,6-dimethyl-4-pyrimidinyl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,6-dimethylpyrimidin-4-yl)thio]ethanone Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H16N2O3S/c1-10-7-16(18-11(2)17-10)22-9-13(19)12-3-4-14-15(8-12)21-6-5-20-14/h3-4,7-8H,5-6,9H2,1-2H3