3-bromanyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: 3-bromanyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 3-bromo-N-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 3-bromo-N-[3-(4-morpholin-4-iumyl)propyl]-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 3-bromo-N-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 3-bromo-N-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C19H20BrF3N5O2S+ MolecularWeight: 519.35861

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CS4)C(F)(F)F

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CS4)C(F)(F)F

InChI

InChI=1S/C19H19BrF3N5O2S/c20-15-16(18(29)24-4-2-5-27-6-8-30-9-7-27)26-28-14(19(21,22)23)11-12(25-17(15)28)13-3-1-10-31-13/h1,3,10-11H,2,4-9H2,(H,24,29)/p+1