2-[4-methyl-6-(1-methyl-6-oxidanylidene-pyridazin-3-yl)oxy-pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-methyl-6-(1-methyl-6-oxidanylidene-pyridazin-3-yl)oxy-pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-methyl-6-(1-methyl-6-oxo-pyridazin-3-yl)oxy-pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-methyl-6-[(1-methyl-6-oxo-3-pyridazinyl)oxy]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(6-keto-1-methyl-pyridazin-3-yl)oxy-6-methyl-pyrimidin-2-yl]thio]acetic acid Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)O)OC2=NN(C(=O)C=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)O)OC2=NN(C(=O)C=C2)C

InChI

InChI=1S/C12H12N4O4S/c1-7-5-9(14-12(13-7)21-6-11(18)19)20-8-3-4-10(17)16(2)15-8/h3-5H,6H2,1-2H3,(H,18,19)