5-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]pentanoic acid

Systemtic Name: 5-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]pentanoic acid Openeye Name: 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pentanoic acid CAS Name: 5-[(6-oxo-1H-pyrimidin-2-yl)thio]pentanoic acid IUPAC Name: 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pentanoic acid Traditional Name: 5-[(6-keto-1H-pyrimidin-2-yl)thio]valeric acid Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(NC1=O)SCCCCC(=O)O

Isomeric SMILES

C1=CN=C(NC1=O)SCCCCC(=O)O

InChI

InChI=1S/C9H12N2O3S/c12-7-4-5-10-9(11-7)15-6-2-1-3-8(13)14/h4-5H,1-3,6H2,(H,13,14)(H,10,11,12)