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

Systemtic Name: 4-[(E)-3-chloranylprop-2-enyl]sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(E)-3-chloroallyl]sulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[(E)-3-chloroprop-2-enyl]thio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(E)-3-chloroprop-2-enyl]sulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[[(E)-3-chloroallyl]thio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H15ClN2O2S MolecularWeight: 286.7777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN2O2S/c1-7(2)10-14-8(3)9(12(16)17)11(15-10)18-6-4-5-13/h4-5,7H,6H2,1-3H3,(H,16,17)/b5-4+