ethyl 6-butyl-7-oxidanylidene-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 6-butyl-7-oxidanylidene-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 6-butyl-7-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 6-butyl-7-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-butyl-7-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 6-butyl-7-keto-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C27H27N7O3 MolecularWeight: 497.54838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C(C=NN2C1=O)C(=O)OCC)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

Isomeric SMILES

CCCCC1=CN(C2=C(C=NN2C1=O)C(=O)OCC)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

InChI

InChI=1S/C27H27N7O3/c1-3-5-8-20-17-33(25-23(27(36)37-4-2)15-28-34(25)26(20)35)16-18-11-13-19(14-12-18)21-9-6-7-10-22(21)24-29-31-32-30-24/h6-7,9-15,17H,3-5,8,16H2,1-2H3,(H,29,30,31,32)