2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(1,2,4-triazol-1-yl)benzoic acid

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(1,2,4-triazol-1-yl)benzoic acid Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(1,2,4-triazol-1-yl)benzoic acid CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-(1,2,4-triazol-1-yl)benzoic acid IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(1,2,4-triazol-1-yl)benzoic acid Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(1,2,4-triazol-1-yl)benzoic acid Formula: C15H13N5O5 MolecularWeight: 343.29422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=CC=CC(=C2C(=O)O)N3C=NC=N3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=CC=CC(=C2C(=O)O)N3C=NC=N3)OC

InChI

InChI=1S/C15H13N5O5/c1-23-11-6-12(24-2)19-15(18-11)25-10-5-3-4-9(13(10)14(21)22)20-8-16-7-17-20/h3-8H,1-2H3,(H,21,22)