2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxylic acid

Systemtic Name: 2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxylic acid Openeye Name: 2-methylsulfanyl-6-tetralin-6-yl-pyrimidine-4-carboxylic acid CAS Name: 2-(methylthio)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-4-pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxylic acid Traditional Name: 2-(methylthio)-6-tetralin-6-yl-pyrimidine-4-carboxylic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)C(=O)O)C2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CSC1=NC(=CC(=N1)C(=O)O)C2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C16H16N2O2S/c1-21-16-17-13(9-14(18-16)15(19)20)12-7-6-10-4-2-3-5-11(10)8-12/h6-9H,2-5H2,1H3,(H,19,20)