1-(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[[2,4-dimethyl-6-(methylthio)-5-pyrimidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2,4-dimethyl-6-(methylthio)pyrimidine-5-carbonyl]proline Formula: C13H17N3O3S MolecularWeight: 295.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SC)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SC)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C13H17N3O3S/c1-7-10(11(20-3)15-8(2)14-7)12(17)16-6-4-5-9(16)13(18)19/h9H,4-6H2,1-3H3,(H,18,19)