4-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoic acid

Systemtic Name: 4-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Openeye Name: 4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoic acid CAS Name: 4-[(6-oxo-1H-pyrimidin-2-yl)thio]butanoic acid IUPAC Name: 4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Traditional Name: 4-[(6-keto-1H-pyrimidin-2-yl)thio]butyric acid Formula: C8H10N2O3S MolecularWeight: 214.2416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N2O3S/c11-6-3-4-9-8(10-6)14-5-1-2-7(12)13/h3-4H,1-2,5H2,(H,12,13)(H,9,10,11)