2,4-bis(oxidanylidene)-3-(6-sulfanyl-1,3-benzodioxol-5-yl)-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-bis(oxidanylidene)-3-(6-sulfanyl-1,3-benzodioxol-5-yl)-1H-pyrimidine-5-carboxylic acid Openeye Name: 2,4-dioxo-3-(6-sulfanyl-1,3-benzodioxol-5-yl)-1H-pyrimidine-5-carboxylic acid CAS Name: 3-(6-mercapto-1,3-benzodioxol-5-yl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2,4-dioxo-3-(6-sulfanyl-1,3-benzodioxol-5-yl)-1H-pyrimidine-5-carboxylic acid Traditional Name: 2,4-diketo-3-(6-mercapto-1,3-benzodioxol-5-yl)-1H-pyrimidine-5-carboxylic acid Formula: C12H8N2O6S MolecularWeight: 308.26672

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)N3C(=O)C(=CNC3=O)C(=O)O)S

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)N3C(=O)C(=CNC3=O)C(=O)O)S

InChI

InChI=1S/C12H8N2O6S/c15-10-5(11(16)17)3-13-12(18)14(10)6-1-7-8(2-9(6)21)20-4-19-7/h1-3,21H,4H2,(H,13,18)(H,16,17)