6-cyclohexyl-5-(4-methoxyphenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: 6-cyclohexyl-5-(4-methoxyphenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 6-cyclohexyl-5-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 6-cyclohexyl-5-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 6-cyclohexyl-5-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 6-cyclohexyl-7-keto-5-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N3C(=N2)C=C(N3)C(=O)O)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N3C(=N2)C=C(N3)C(=O)O)C4CCCCC4

InChI

InChI=1S/C20H21N3O4/c1-27-14-9-7-13(8-10-14)18-17(12-5-3-2-4-6-12)19(24)23-16(21-18)11-15(22-23)20(25)26/h7-12,22H,2-6H2,1H3,(H,25,26)