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

Systemtic Name: 2-[(6-tert-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid IUPAC Name: 2-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(6-tert-butyl-4-keto-1H-pyrimidin-2-yl)thio]acetic acid Formula: C10H14N2O3S MolecularWeight: 242.29476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)SCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)SCC(=O)O

InChI

InChI=1S/C10H14N2O3S/c1-10(2,3)6-4-7(13)12-9(11-6)16-5-8(14)15/h4H,5H2,1-3H3,(H,14,15)(H,11,12,13)