2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(4-methylsulfonylpyrimidin-2-yl)benzoic acid

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(4-methylsulfonylpyrimidin-2-yl)benzoic acid Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(4-methylsulfonylpyrimidin-2-yl)benzoic acid CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-(4-methylsulfonyl-2-pyrimidinyl)benzoic acid IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(4-methylsulfonylpyrimidin-2-yl)benzoic acid Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(4-mesylpyrimidin-2-yl)benzoic acid Formula: C18H16N4O7S MolecularWeight: 432.40724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=CC=CC(=C2C(=O)O)C3=NC=CC(=N3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=CC=CC(=C2C(=O)O)C3=NC=CC(=N3)S(=O)(=O)C)OC

InChI

InChI=1S/C18H16N4O7S/c1-27-12-9-13(28-2)21-18(20-12)29-11-6-4-5-10(15(11)17(23)24)16-19-8-7-14(22-16)30(3,25)26/h4-9H,1-3H3,(H,23,24)