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

Systemtic Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoate Openeye Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoate CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)thio]butanoate IUPAC Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoate Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)thio]butyrate Formula: C10H13N2O2S- MolecularWeight: 225.28742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCC(=O)[O-])C

InChI

InChI=1S/C10H14N2O2S/c1-7-6-8(2)12-10(11-7)15-5-3-4-9(13)14/h6H,3-5H2,1-2H3,(H,13,14)/p-1