2-(4-chloranylpyrimidin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-chloranylpyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(4-chloropyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(4-chloro-2-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-chloropyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-chloropyrimidin-2-yl)thio]acetic acid Formula: C6H5ClN2O2S MolecularWeight: 204.6341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1Cl)SCC(=O)O

Isomeric SMILES

C1=CN=C(N=C1Cl)SCC(=O)O

InChI

InChI=1S/C6H5ClN2O2S/c7-4-1-2-8-6(9-4)12-3-5(10)11/h1-2H,3H2,(H,10,11)