6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl 3-oxidanylidenebutanoate

Systemtic Name: 6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl 3-oxidanylidenebutanoate Openeye Name: 6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 6-[(4,6-dimethyl-2-pyrimidinyl)thio]hexyl ester IUPAC Name: 6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 6-[(4,6-dimethylpyrimidin-2-yl)thio]hexyl ester Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCCCCOC(=O)CC(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCCCCOC(=O)CC(=O)C)C

InChI

InChI=1S/C16H24N2O3S/c1-12-10-13(2)18-16(17-12)22-9-7-5-4-6-8-21-15(20)11-14(3)19/h10H,4-9,11H2,1-3H3