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

Systemtic Name: 5-ethyl-8-methyl-6-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-8-ium-3-carbonitrile Openeye Name: 5-ethyl-8-methyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-8-ium-3-carbonitrile CAS Name: 5-ethyl-8-methyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]-3-pyrazolo[1,5-a]pyrimidin-8-iumcarbonitrile IUPAC Name: 5-ethyl-8-methyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-8-ium-3-carbonitrile Traditional Name: 5-ethyl-8-methyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]amino]pyrazolo[1,5-a]pyrimidin-8-ium-3-carbonitrile Formula: C24H22N9+ MolecularWeight: 436.49178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=N[N+]2(C=C1NCC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C)C#N

Isomeric SMILES

CCC1=NC2=C(C=N[N+]2(C=C1NCC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C)C#N

InChI

InChI=1S/C24H22N9/c1-3-21-22(15-33(2)24(28-21)18(12-25)14-27-33)26-13-16-8-10-17(11-9-16)19-6-4-5-7-20(19)23-29-31-32-30-23/h4-11,14-15,26H,3,13H2,1-2H3,(H,29,30,31,32)/q+1