4-(2-chloranylprop-2-enylsulfanyl)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-chloranylprop-2-enylsulfanyl)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-chloroallylsulfanyl)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-chloroprop-2-enylthio)-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-chloroprop-2-enylsulfanyl)-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-chloroallylthio)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H13ClN2O2S MolecularWeight: 284.76182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=C)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=C)Cl)C(=O)O

InChI

InChI=1S/C12H13ClN2O2S/c1-6(13)5-18-11-9(12(16)17)7(2)14-10(15-11)8-3-4-8/h8H,1,3-5H2,2H3,(H,16,17)