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

Systemtic Name: 6-(4-methylpent-3-enyl)-7-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-6-(4-methylpent-3-enyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 6-(4-methylpent-3-enyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid IUPAC Name: 6-(4-methylpent-3-enyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-7-keto-6-(4-methylpent-3-enyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C26H25N3O4 MolecularWeight: 443.4944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC1=C(N=C2C(=CNN2C1=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC(=CCCC1=C(N=C2C(=CNN2C1=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O4/c1-17(2)7-6-10-21-23(28-24-22(26(31)32)15-27-29(24)25(21)30)19-11-13-20(14-12-19)33-16-18-8-4-3-5-9-18/h3-5,7-9,11-15,27H,6,10,16H2,1-2H3,(H,31,32)