3-(6-methylpyrimidin-4-yl)sulfanylpropanoate

Systemtic Name: 3-(6-methylpyrimidin-4-yl)sulfanylpropanoate Openeye Name: 3-(6-methylpyrimidin-4-yl)sulfanylpropanoate CAS Name: 3-[(6-methyl-4-pyrimidinyl)thio]propanoate IUPAC Name: 3-(6-methylpyrimidin-4-yl)sulfanylpropanoate Traditional Name: 3-[(6-methylpyrimidin-4-yl)thio]propionate Formula: C8H9N2O2S- MolecularWeight: 197.23426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCCC(=O)[O-]

Isomeric SMILES

CC1=CC(=NC=N1)SCCC(=O)[O-]

InChI

InChI=1S/C8H10N2O2S/c1-6-4-7(10-5-9-6)13-3-2-8(11)12/h4-5H,2-3H2,1H3,(H,11,12)/p-1