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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC(=O)O

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC(=O)O

InChI

InChI=1S/C8H10N2O3S/c1-2-5-3-6(11)10-8(9-5)14-4-7(12)13/h3H,2,4H2,1H3,(H,12,13)(H,9,10,11)