4-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-chloro-1-methyl-imidazol-2-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-chloro-1-methyl-2-imidazolyl)methylthio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[(5-chloro-1-methyl-imidazol-2-yl)methylthio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=NC=C(N2C)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=NC=C(N2C)Cl)C(=O)O

InChI

InChI=1S/C12H13ClN4O2S/c1-6-10(12(18)19)11(16-7(2)15-6)20-5-9-14-4-8(13)17(9)3/h4H,5H2,1-3H3,(H,18,19)