2-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]sulfanylbenzoic acid Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)sulfanylbenzoic acid CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)thio]benzoic acid IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)sulfanylbenzoic acid Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)thio]benzoic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H12N2O4S/c1-14-10(16)7-11(15(2)13(14)19)20-9-6-4-3-5-8(9)12(17)18/h3-7H,1-2H3,(H,17,18)