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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=C(C(=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F)N=C1)C

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C(C(=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F)N=C1)C

InChI

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