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

Systemtic Name: 4-[(E)-3-chloranylprop-2-enyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(E)-3-chloroallyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[(E)-3-chloroprop-2-enyl]thio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(E)-3-chloroprop-2-enyl]sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[[(E)-3-chloroallyl]thio]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H13ClN2O2S MolecularWeight: 284.76182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SC/C=C/Cl)C(=O)O

InChI

InChI=1S/C12H13ClN2O2S/c1-7-9(12(16)17)11(18-6-2-5-13)15-10(14-7)8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H,16,17)/b5-2+