3-bromanyl-N-octadecyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: 3-bromanyl-N-octadecyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 3-bromo-N-octadecyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 3-bromo-N-octadecyl-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 3-bromo-N-stearyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C25H41BrN4O MolecularWeight: 493.52324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN2C=CC=NC2=C1Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN2C=CC=NC2=C1Br

InChI

InChI=1S/C25H41BrN4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-25(31)23-22(26)24-27-20-18-21-30(24)29-23/h18,20-21H,2-17,19H2,1H3,(H,28,31)