2-methylsulfanyl-4,6-bis(phenylmethoxy)pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4,6-bis(phenylmethoxy)pyrimidine-5-carboxylic acid Openeye Name: 4,6-dibenzyloxy-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-(methylthio)-4,6-bis(phenylmethoxy)-5-pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfanyl-4,6-bis(phenylmethoxy)pyrimidine-5-carboxylic acid Traditional Name: 4,6-dibenzoxy-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C20H18N2O4S MolecularWeight: 382.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)OCC2=CC=CC=C2)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)OCC2=CC=CC=C2)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4S/c1-27-20-21-17(25-12-14-8-4-2-5-9-14)16(19(23)24)18(22-20)26-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,23,24)