2-cyclohexyl-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-cyclohexyl-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-cyclohexyl-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-cyclohexyl-4-methyl-6-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2-cyclohexyl-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-cyclohexyl-4-methyl-6-(methylthio)pyrimidine-5-carboxylic acid Formula: C13H18N2O2S MolecularWeight: 266.35922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CCCCC2)SC)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CCCCC2)SC)C(=O)O

InChI

InChI=1S/C13H18N2O2S/c1-8-10(13(16)17)12(18-2)15-11(14-8)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3,(H,16,17)