2-(4,6-dimethoxypyrimidin-2-yl)-6-thiophen-2-yl-benzoic acid

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)-6-thiophen-2-yl-benzoic acid Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)-6-(2-thienyl)benzoic acid CAS Name: 2-(4,6-dimethoxy-2-pyrimidinyl)-6-thiophen-2-ylbenzoic acid IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)-6-thiophen-2-ylbenzoic acid Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)-6-(2-thienyl)benzoic acid Formula: C17H14N2O4S MolecularWeight: 342.36906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C2=CC=CC(=C2C(=O)O)C3=CC=CS3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C2=CC=CC(=C2C(=O)O)C3=CC=CS3)OC

InChI

InChI=1S/C17H14N2O4S/c1-22-13-9-14(23-2)19-16(18-13)11-6-3-5-10(15(11)17(20)21)12-7-4-8-24-12/h3-9H,1-2H3,(H,20,21)