5-pyrimidin-2-ylsulfanylpentanoic acid

Systemtic Name: 5-pyrimidin-2-ylsulfanylpentanoic acid Openeye Name: 5-pyrimidin-2-ylsulfanylpentanoic acid CAS Name: 5-(2-pyrimidinylthio)pentanoic acid IUPAC Name: 5-pyrimidin-2-ylsulfanylpentanoic acid Traditional Name: 5-(2-pyrimidylthio)valeric acid Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O2S/c12-8(13)4-1-2-7-14-9-10-5-3-6-11-9/h3,5-6H,1-2,4,7H2,(H,12,13)