ethyl 5-chloranyl-3-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1C2=NC(=CC(=N2)C)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(NN=C1C2=NC(=CC(=N2)C)C)Cl

InChI

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