5-chloranyl-1-(4,6-dimethylpyrimidin-2-yl)-3-ethyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-(4,6-dimethylpyrimidin-2-yl)-3-ethyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-ethyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(4,6-dimethyl-2-pyrimidinyl)-3-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-ethyl-pyrazole-4-carboxylic acid Formula: C12H13ClN4O2 MolecularWeight: 280.71022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)O)Cl)C2=NC(=CC(=N2)C)C

Isomeric SMILES

CCC1=NN(C(=C1C(=O)O)Cl)C2=NC(=CC(=N2)C)C

InChI

InChI=1S/C12H13ClN4O2/c1-4-8-9(11(18)19)10(13)17(16-8)12-14-6(2)5-7(3)15-12/h5H,4H2,1-3H3,(H,18,19)