2-ethyl-7-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2-ethyl-7-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 2-ethyl-7-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2-ethyl-7-(4-ethyl-1-piperazin-4-iumyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 2-ethyl-7-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 2-ethyl-7-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C21H28N5+ MolecularWeight: 350.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C)N4CC[NH+](CC4)CC

Isomeric SMILES

CCC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C)N4CC[NH+](CC4)CC

InChI

InChI=1S/C21H27N5/c1-4-18-20(17-9-7-6-8-10-17)21-22-16(3)15-19(26(21)23-18)25-13-11-24(5-2)12-14-25/h6-10,15H,4-5,11-14H2,1-3H3/p+1