2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoic acid hydrate

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoic acid hydrate Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetic acid hydrate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid hydrate IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetic acid hydrate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid hydrate Formula: C8H12N2O3S MolecularWeight: 216.25748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)O)C.O

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)O)C.O

InChI

InChI=1S/C8H10N2O2S.H2O/c1-5-3-6(2)10-8(9-5)13-4-7(11)12;/h3H,4H2,1-2H3,(H,11,12);1H2