6-(1-benzofuran-5-yl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 6-(1-benzofuran-5-yl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 6-(benzofuran-5-yl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 6-(5-benzofuranyl)-7-cyclohexyl-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 6-(1-benzofuran-5-yl)-7-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 6-(benzofuran-5-yl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC5=C(C=C4)OC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC5=C(C=C4)OC=C5

InChI

InChI=1S/C21H19N3O3/c25-21(26)17-12-23-24-19(13-4-2-1-3-5-13)16(11-22-20(17)24)14-6-7-18-15(10-14)8-9-27-18/h6-13H,1-5H2,(H,25,26)