2,4-dimethyl-6-pentylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-pentylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-pentylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-(pentylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-pentylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(amylthio)-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C12H18N2O2S MolecularWeight: 254.34852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=NC(=C1C(=O)O)C)C

Isomeric SMILES

CCCCCSC1=NC(=NC(=C1C(=O)O)C)C

InChI

InChI=1S/C12H18N2O2S/c1-4-5-6-7-17-11-10(12(15)16)8(2)13-9(3)14-11/h4-7H2,1-3H3,(H,15,16)