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

Systemtic Name: 2-[(6-tert-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: 2-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)thio]acetate IUPAC Name: 2-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-tert-butyl-4-keto-1H-pyrimidin-2-yl)thio]acetate Formula: C10H13N2O3S- MolecularWeight: 241.28682

Click to see the large picture

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)/p-1