methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoate

Systemtic Name: methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoate Openeye Name: methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoate CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]butanoic acid methyl ester IUPAC Name: methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoate Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]butyric acid methyl ester Formula: C11H16N2O2S MolecularWeight: 240.32194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC(C)CC(=O)OC)C

InChI

InChI=1S/C11H16N2O2S/c1-7-5-8(2)13-11(12-7)16-9(3)6-10(14)15-4/h5,9H,6H2,1-4H3