5-tert-butyl-3-(4-methylphenyl)-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-3-(4-methylphenyl)-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-7-(4-methylpiperazin-4-ium-1-yl)-3-(p-tolyl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-3-(4-methylphenyl)-7-(4-methyl-1-piperazin-4-iumyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-3-(4-methylphenyl)-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-7-(4-methylpiperazin-4-ium-1-yl)-3-(p-tolyl)pyrazolo[1,5-a]pyrimidine Formula: C22H30N5+ MolecularWeight: 364.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2)N4CC[NH+](CC4)C)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2)N4CC[NH+](CC4)C)C(C)(C)C

InChI

InChI=1S/C22H29N5/c1-16-6-8-17(9-7-16)18-15-23-27-20(26-12-10-25(5)11-13-26)14-19(22(2,3)4)24-21(18)27/h6-9,14-15H,10-13H2,1-5H3/p+1