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

Systemtic Name: 5-tert-butyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-7-(4-methyl-1-piperazin-4-iumyl)-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C21H28N5+ MolecularWeight: 350.48052

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5/c1-21(2,3)18-14-19(25-12-10-24(4)11-13-25)26-20(23-18)17(15-22-26)16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3/p+1