4-[(E)-3-chloranylprop-2-enyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(E)-3-chloranylprop-2-enyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(E)-3-chloroallyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[(E)-3-chloroprop-2-enyl]thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(E)-3-chloroprop-2-enyl]sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[[(E)-3-chloroallyl]thio]-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=CCl)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SC/C=C/Cl)C(=O)O)C

InChI

InChI=1S/C11H13ClN2O2S/c1-3-8-13-7(2)9(11(15)16)10(14-8)17-6-4-5-12/h4-5H,3,6H2,1-2H3,(H,15,16)/b5-4+