2-(2-methylsulfanylpyrimidin-4-yl)carbonyl-3,4-dihydropyridazine-1,3-dicarboxylic acid

Systemtic Name: 2-(2-methylsulfanylpyrimidin-4-yl)carbonyl-3,4-dihydropyridazine-1,3-dicarboxylic acid Openeye Name: 2-(2-methylsulfanylpyrimidine-4-carbonyl)-3,4-dihydropyridazine-1,3-dicarboxylic acid CAS Name: 2-[[2-(methylthio)-4-pyrimidinyl]-oxomethyl]-3,4-dihydropyridazine-1,3-dicarboxylic acid IUPAC Name: 2-(2-methylsulfanylpyrimidine-4-carbonyl)-3,4-dihydropyridazine-1,3-dicarboxylic acid Traditional Name: 2-[2-(methylthio)pyrimidine-4-carbonyl]-3,4-dihydropyridazine-1,3-dicarboxylic acid Formula: C12H12N4O5S MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C(=O)N2C(CC=CN2C(=O)O)C(=O)O

Isomeric SMILES

CSC1=NC=CC(=N1)C(=O)N2C(CC=CN2C(=O)O)C(=O)O

InChI

InChI=1S/C12H12N4O5S/c1-22-11-13-5-4-7(14-11)9(17)16-8(10(18)19)3-2-6-15(16)12(20)21/h2,4-6,8H,3H2,1H3,(H,18,19)(H,20,21)