2-[(4-oxidanyl-6-oxidanylidene-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-oxidanyl-6-oxidanylidene-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-hydroxy-5-isopropyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)thio]acetic acid IUPAC Name: 2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-hydroxy-5-isopropyl-6-keto-1H-pyrimidin-2-yl)thio]acetic acid Formula: C9H12N2O4S MolecularWeight: 244.26758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=C(NC1=O)SCC(=O)O)O

Isomeric SMILES

CC(C)C1=C(N=C(NC1=O)SCC(=O)O)O

InChI

InChI=1S/C9H12N2O4S/c1-4(2)6-7(14)10-9(11-8(6)15)16-3-5(12)13/h4H,3H2,1-2H3,(H,12,13)(H2,10,11,14,15)