6-(2-ethylbutyl)-7-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 6-(2-ethylbutyl)-7-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-6-(2-ethylbutyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 6-(2-ethylbutyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid IUPAC Name: 6-(2-ethylbutyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-6-(2-ethylbutyl)-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC1=C(N=C2C(=CNN2C1=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCC(CC)CC1=C(N=C2C(=CNN2C1=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4/c1-3-17(4-2)14-21-23(28-24-22(26(31)32)15-27-29(24)25(21)30)19-10-12-20(13-11-19)33-16-18-8-6-5-7-9-18/h5-13,15,17,27H,3-4,14,16H2,1-2H3,(H,31,32)