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

Systemtic Name: 4-(2-chloranylprop-2-enylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-chloroallylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-chloroprop-2-enylthio)-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-chloroprop-2-enylsulfanyl)-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-chloroallylthio)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C11H13ClN2O2S MolecularWeight: 272.75112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=C)Cl)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=C)Cl)C(=O)O)C

InChI

InChI=1S/C11H13ClN2O2S/c1-4-8-13-7(3)9(11(15)16)10(14-8)17-5-6(2)12/h2,4-5H2,1,3H3,(H,15,16)