3-pyrimidin-2-ylsulfanylbutanoic acid

Systemtic Name: 3-pyrimidin-2-ylsulfanylbutanoic acid Openeye Name: 3-pyrimidin-2-ylsulfanylbutanoic acid CAS Name: 3-(2-pyrimidinylthio)butanoic acid IUPAC Name: 3-pyrimidin-2-ylsulfanylbutanoic acid Traditional Name: 3-(2-pyrimidylthio)butyric acid Formula: C8H10N2O2S MolecularWeight: 198.2422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N2O2S/c1-6(5-7(11)12)13-8-9-3-2-4-10-8/h2-4,6H,5H2,1H3,(H,11,12)