3-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NC=CC(=O)N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NC=CC(=O)N2)C(=O)O

InChI

InChI=1S/C13H11N3O4S/c17-10-4-5-14-13(16-10)21-7-11(18)15-9-3-1-2-8(6-9)12(19)20/h1-6H,7H2,(H,15,18)(H,19,20)(H,14,16,17)