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

Systemtic Name: 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-7-propyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-7-propyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-7-propyl-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 3-(4-fluorophenyl)-2-(4-mesylphenyl)-7-propyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C23H20FN3O4S MolecularWeight: 453.486003

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

CCCC1=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/C23H20FN3O4S/c1-3-4-19-18(23(28)29)13-25-22-20(14-5-9-16(24)10-6-14)21(26-27(19)22)15-7-11-17(12-8-15)32(2,30)31/h5-13H,3-4H2,1-2H3,(H,28,29)