6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: 6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: 6-[(2-chloro-6-fluoro-phenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxylate IUPAC Name: 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 6-(2-chloro-6-fluoro-benzyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate Formula: C16H12ClFN3O2- MolecularWeight: 332.736783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C(C=NN12)C(=O)[O-])C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(C(=NC2=C(C=NN12)C(=O)[O-])C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H13ClFN3O2/c1-8-10(6-11-13(17)4-3-5-14(11)18)9(2)21-15(20-8)12(7-19-21)16(22)23/h3-5,7H,6H2,1-2H3,(H,22,23)/p-1