2-pyrimidin-2-ylsulfanylbutanoic acid

Systemtic Name: 2-pyrimidin-2-ylsulfanylbutanoic acid Openeye Name: 2-pyrimidin-2-ylsulfanylbutanoic acid CAS Name: 2-(2-pyrimidinylthio)butanoic acid IUPAC Name: 2-pyrimidin-2-ylsulfanylbutanoic acid Traditional Name: 2-(2-pyrimidylthio)butyric acid Formula: C8H10N2O2S MolecularWeight: 198.2422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC=CC=N1

Isomeric SMILES

CCC(C(=O)O)SC1=NC=CC=N1

InChI

InChI=1S/C8H10N2O2S/c1-2-6(7(11)12)13-8-9-4-3-5-10-8/h3-6H,2H2,1H3,(H,11,12)