2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methylsulfanyl]benzoate

Systemtic Name: 2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methylsulfanyl]benzoate Openeye Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]benzoate CAS Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylthio]benzoate IUPAC Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2,4-diketo-1H-pyrimidin-6-yl)methylthio]benzoate Formula: C12H9N2O4S- MolecularWeight: 277.27586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SCC2=CC(=O)NC(=O)N2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SCC2=CC(=O)NC(=O)N2

InChI

InChI=1S/C12H10N2O4S/c15-10-5-7(13-12(18)14-10)6-19-9-4-2-1-3-8(9)11(16)17/h1-5H,6H2,(H,16,17)(H2,13,14,15,18)/p-1