4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-pyridine-3-carboxylic acid

Systemtic Name: 4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-pyridine-3-carboxylic acid Openeye Name: 4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-pyridine-3-carboxylic acid CAS Name: 4-(4-chlorophenyl)-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 4-(4-chlorophenyl)-2-[(4,6-dimethoxypyrimidin-2-yl)thio]nicotinic acid Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SC2=NC=CC(=C2C(=O)O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=CC(=NC(=N1)SC2=NC=CC(=C2C(=O)O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C18H14ClN3O4S/c1-25-13-9-14(26-2)22-18(21-13)27-16-15(17(23)24)12(7-8-20-16)10-3-5-11(19)6-4-10/h3-9H,1-2H3,(H,23,24)