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

Systemtic Name: 4-[(E)-3-chloranylprop-2-enyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(E)-3-chloroallyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[(E)-3-chloroprop-2-enyl]thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(E)-3-chloroprop-2-enyl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[[(E)-3-chloroallyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C10H11ClN2O2S MolecularWeight: 258.72454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC=CCl)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SC/C=C/Cl)C(=O)O

InChI

InChI=1S/C10H11ClN2O2S/c1-6-8(10(14)15)9(13-7(2)12-6)16-5-3-4-11/h3-4H,5H2,1-2H3,(H,14,15)/b4-3+