2,5-dimethyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2,5-dimethyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 6-benzyl-2,5-dimethyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2,5-dimethyl-7-(4-methyl-1-piperazin-4-iumyl)-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 6-benzyl-2,5-dimethyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 6-benzyl-2,5-dimethyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C26H30N5+ MolecularWeight: 412.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)N4CC[NH+](CC4)C)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)N4CC[NH+](CC4)C)C)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5/c1-19-23(18-21-10-6-4-7-11-21)26(30-16-14-29(3)15-17-30)31-25(27-19)24(20(2)28-31)22-12-8-5-9-13-22/h4-13H,14-18H2,1-3H3/p+1