5-ethyl-8-methyl-N-[[2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-8-ium-6-amine

Systemtic Name: 5-ethyl-8-methyl-N-[[2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-8-ium-6-amine Openeye Name: 5-ethyl-8-methyl-N-[[2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-8-ium-6-amine CAS Name: 5-ethyl-8-methyl-N-[[2-[2-(2H-tetrazol-5-yl)phenyl]-5-benzofuranyl]methyl]-6-pyrazolo[1,5-a]pyrimidin-8-iumamine IUPAC Name: 5-ethyl-8-methyl-N-[[2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-8-ium-6-amine Traditional Name: (5-ethyl-8-methyl-pyrazolo[1,5-a]pyrimidin-8-ium-6-yl)-[[2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]amine Formula: C25H23N8O+ MolecularWeight: 451.50312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=N[N+]2(C=C1NCC3=CC4=C(C=C3)OC(=C4)C5=CC=CC=C5C6=NNN=N6)C

Isomeric SMILES

CCC1=NC2=CC=N[N+]2(C=C1NCC3=CC4=C(C=C3)OC(=C4)C5=CC=CC=C5C6=NNN=N6)C

InChI

InChI=1S/C25H23N8O/c1-3-20-21(15-33(2)24(28-20)10-11-27-33)26-14-16-8-9-22-17(12-16)13-23(34-22)18-6-4-5-7-19(18)25-29-31-32-30-25/h4-13,15,26H,3,14H2,1-2H3,(H,29,30,31,32)/q+1