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

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-methyl-1-piperazin-4-iumyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Formula: C21H27ClN5+ MolecularWeight: 384.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H26ClN5/c1-21(2,3)18-13-19(26-11-9-25(4)10-12-26)27-20(24-18)17(14-23-27)15-5-7-16(22)8-6-15/h5-8,13-14H,9-12H2,1-4H3/p+1