6-[(4-fluorophenyl)methyl]-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate IUPAC Name: 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 6-(4-fluorobenzyl)-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Formula: C15H11FN3O3- MolecularWeight: 300.264543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)[O-])CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)[O-])CC3=CC=C(C=C3)F

InChI

InChI=1S/C15H12FN3O3/c1-8-11(6-9-2-4-10(16)5-3-9)14(20)19-13(18-8)12(7-17-19)15(21)22/h2-5,7,17H,6H2,1H3,(H,21,22)/p-1