N-[2-[6-[bis(oxidanyl)methylidene]-4,5-bis(oxidanylidene)-1H-pyrimidin-2-yl]phenyl]quinoline-8-sulfonamide

Systemtic Name: N-[2-[6-[bis(oxidanyl)methylidene]-4,5-bis(oxidanylidene)-1H-pyrimidin-2-yl]phenyl]quinoline-8-sulfonamide Openeye Name: N-[2-[6-(dihydroxymethylene)-4,5-dioxo-1H-pyrimidin-2-yl]phenyl]quinoline-8-sulfonamide CAS Name: N-[2-[6-(dihydroxymethylidene)-4,5-dioxo-1H-pyrimidin-2-yl]phenyl]-8-quinolinesulfonamide IUPAC Name: N-[2-[6-(dihydroxymethylidene)-4,5-dioxo-1H-pyrimidin-2-yl]phenyl]quinoline-8-sulfonamide Traditional Name: N-[2-[6-(dihydroxymethylene)-4,5-diketo-1H-pyrimidin-2-yl]phenyl]quinoline-8-sulfonamide Formula: C20H14N4O6S MolecularWeight: 438.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=O)C(=O)C(=C(O)O)N2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=O)C(=O)C(=C(O)O)N2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H14N4O6S/c25-17-16(20(27)28)22-18(23-19(17)26)12-7-1-2-8-13(12)24-31(29,30)14-9-3-5-11-6-4-10-21-15(11)14/h1-10,24,27-28H,(H,22,23,26)