2-methylsulfanyl-4,6-diphenoxy-pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4,6-diphenoxy-pyrimidine-5-carboxylic acid Openeye Name: 2-methylsulfanyl-4,6-diphenoxy-pyrimidine-5-carboxylic acid CAS Name: 2-(methylthio)-4,6-diphenoxy-5-pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfanyl-4,6-diphenoxypyrimidine-5-carboxylic acid Traditional Name: 2-(methylthio)-4,6-diphenoxy-pyrimidine-5-carboxylic acid Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)OC2=CC=CC=C2)C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)OC2=CC=CC=C2)C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C18H14N2O4S/c1-25-18-19-15(23-12-8-4-2-5-9-12)14(17(21)22)16(20-18)24-13-10-6-3-7-11-13/h2-11H,1H3,(H,21,22)