5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 5-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-3-phenyl-2-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C21H25F3N5O+ MolecularWeight: 420.45131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)NCCC[NH+]3CCOCC3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)NCCC[NH+]3CCOCC3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C21H24F3N5O/c1-15-14-17(25-8-5-9-28-10-12-30-13-11-28)29-20(26-15)18(16-6-3-2-4-7-16)19(27-29)21(22,23)24/h2-4,6-7,14,25H,5,8-13H2,1H3/p+1