4-pyrimidin-2-ylsulfanylbutanoic acid

Systemtic Name: 4-pyrimidin-2-ylsulfanylbutanoic acid Openeye Name: 4-pyrimidin-2-ylsulfanylbutanoic acid CAS Name: 4-(2-pyrimidinylthio)butanoic acid IUPAC Name: 4-pyrimidin-2-ylsulfanylbutanoic acid Traditional Name: 4-(2-pyrimidylthio)butyric acid Formula: C8H10N2O2S MolecularWeight: 198.2422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCCCC(=O)O

Isomeric SMILES

C1=CN=C(N=C1)SCCCC(=O)O

InChI

InChI=1S/C8H10N2O2S/c11-7(12)3-1-6-13-8-9-4-2-5-10-8/h2,4-5H,1,3,6H2,(H,11,12)