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

Systemtic Name: 5-tert-butyl-2-methyl-3-phenyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-benzylpiperazin-4-ium-1-yl)-5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-2-methyl-3-phenyl-7-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzylpiperazin-4-ium-1-yl)-5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-benzylpiperazin-4-ium-1-yl)-5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C28H34N5+ MolecularWeight: 440.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H33N5/c1-21-26(23-13-9-6-10-14-23)27-29-24(28(2,3)4)19-25(33(27)30-21)32-17-15-31(16-18-32)20-22-11-7-5-8-12-22/h5-14,19H,15-18,20H2,1-4H3/p+1