4-[2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoate Formula: C13H10N3O5S- MolecularWeight: 320.3006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)CSC2=NC(=CC(=O)N2)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)CSC2=NC(=CC(=O)N2)O

InChI

InChI=1S/C13H11N3O5S/c17-9-5-10(18)16-13(15-9)22-6-11(19)14-8-3-1-7(2-4-8)12(20)21/h1-5H,6H2,(H,14,19)(H,20,21)(H2,15,16,17,18)/p-1