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

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C17H18F3N6OS+ MolecularWeight: 411.42463

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CS4)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CS4)C(F)(F)F

InChI

InChI=1S/C17H17F3N6OS/c1-24-4-6-25(7-5-24)23-16(27)12-10-15-21-11(13-3-2-8-28-13)9-14(17(18,19)20)26(15)22-12/h2-3,8-10H,4-7H2,1H3,(H,23,27)/p+1