5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(4-methyl-1-piperazin-4-iumyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Formula: C22H29ClN5+ MolecularWeight: 398.95216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H28ClN5/c1-15-20(16-6-8-17(23)9-7-16)21-24-18(22(2,3)4)14-19(28(21)25-15)27-12-10-26(5)11-13-27/h6-9,14H,10-13H2,1-5H3/p+1