2-(4-butyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 2-(4-butyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: 2-(4-butyl-6-oxido-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-butyl-6-oxido-2-pyrimidinyl)thio]acetate IUPAC Name: 2-(4-butyl-6-oxidopyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-butyl-6-oxido-pyrimidin-2-yl)thio]acetate Formula: C10H12N2O3S-2 MolecularWeight: 240.27888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NC(=N1)SCC(=O)[O-])[O-]

Isomeric SMILES

CCCCC1=CC(=NC(=N1)SCC(=O)[O-])[O-]

InChI

InChI=1S/C10H14N2O3S/c1-2-3-4-7-5-8(13)12-10(11-7)16-6-9(14)15/h5H,2-4,6H2,1H3,(H,14,15)(H,11,12,13)/p-2