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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)C)C)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)C)C)C4=CC=CC=C4

InChI

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