4-oxidanylidene-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7,8-dicarboxylic acid

Systemtic Name: 4-oxidanylidene-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7,8-dicarboxylic acid Openeye Name: 4-oxo-2-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7,8-dicarboxylic acid CAS Name: 4-oxo-2-sulfanylidene-1,5-dihydro[1]benzopyrano[2,3-d]pyrimidine-7,8-dicarboxylic acid IUPAC Name: 4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7,8-dicarboxylic acid Traditional Name: 4-keto-2-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7,8-dicarboxylic acid Formula: C13H8N2O6S MolecularWeight: 320.27742

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C(=C2)C(=O)O)C(=O)O)OC3=C1C(=O)NC(=S)N3

Isomeric SMILES

C1C2=C(C=C(C(=C2)C(=O)O)C(=O)O)OC3=C1C(=O)NC(=S)N3

InChI

InChI=1S/C13H8N2O6S/c16-9-7-2-4-1-5(11(17)18)6(12(19)20)3-8(4)21-10(7)15-13(22)14-9/h1,3H,2H2,(H,17,18)(H,19,20)(H2,14,15,16,22)