4-[(6-chloranylpyridin-3-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(6-chloranylpyridin-3-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(6-chloro-3-pyridyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(6-chloro-3-pyridinyl)methylthio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(6-chloropyridin-3-yl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[(6-chloro-3-pyridyl)methylthio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C13H12ClN3O2S MolecularWeight: 309.77128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CN=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CN=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H12ClN3O2S/c1-7-11(13(18)19)12(17-8(2)16-7)20-6-9-3-4-10(14)15-5-9/h3-5H,6H2,1-2H3,(H,18,19)