4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methylthio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylthio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C13H15ClN4O2S MolecularWeight: 326.8018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=C(N(N=C2C)C)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=C(N(N=C2C)C)Cl)C(=O)O

InChI

InChI=1S/C13H15ClN4O2S/c1-6-9(11(14)18(4)17-6)5-21-12-10(13(19)20)7(2)15-8(3)16-12/h5H2,1-4H3,(H,19,20)