3-(4-fluorophenyl)-7-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Systemtic Name: 3-(4-fluorophenyl)-7-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 3-(4-fluorophenyl)-7-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 3-(4-fluorophenyl)-7-methyl-2-(4-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 3-(4-fluorophenyl)-7-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 3-(4-fluorophenyl)-2-(4-mesylphenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C21H16FN3O4S MolecularWeight: 425.432843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC2=C(C(=NN12)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

CC1=C(C=NC2=C(C(=NN12)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C21H16FN3O4S/c1-12-17(21(26)27)11-23-20-18(13-3-7-15(22)8-4-13)19(24-25(12)20)14-5-9-16(10-6-14)30(2,28)29/h3-11H,1-2H3,(H,26,27)