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

Systemtic Name: 4-(2-chloranylprop-2-enylsulfanyl)-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-chloroallylsulfanyl)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-chloroprop-2-enylthio)-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-chloroprop-2-enylsulfanyl)-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-chloroallylthio)-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(=C)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN2O2S/c1-6(2)10-14-8(4)9(12(16)17)11(15-10)18-5-7(3)13/h6H,3,5H2,1-2,4H3,(H,16,17)