2-methylsulfanyl-5-naphthalen-2-yl-pyrimidine-4-carboxylic acid

Systemtic Name: 2-methylsulfanyl-5-naphthalen-2-yl-pyrimidine-4-carboxylic acid Openeye Name: 2-methylsulfanyl-5-(2-naphthyl)pyrimidine-4-carboxylic acid CAS Name: 2-(methylthio)-5-(2-naphthalenyl)-4-pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfanyl-5-naphthalen-2-ylpyrimidine-4-carboxylic acid Traditional Name: 2-(methylthio)-5-(2-naphthyl)pyrimidine-4-carboxylic acid Formula: C16H12N2O2S MolecularWeight: 296.34368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H12N2O2S/c1-21-16-17-9-13(14(18-16)15(19)20)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,19,20)