4-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-imidazo[1,5-a]pyrimidine-8-carboxamide

Systemtic Name: 4-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-imidazo[1,5-a]pyrimidine-8-carboxamide Openeye Name: 4-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-phenyl-imidazo[1,5-a]pyrimidine-8-carboxamide CAS Name: 4-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]-2-phenyl-8-imidazo[1,5-a]pyrimidinecarboxamide IUPAC Name: 4-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-phenylimidazo[1,5-a]pyrimidine-8-carboxamide Traditional Name: 4-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-phenyl-imidazo[1,5-a]pyrimidine-8-carboxamide Formula: C26H27N6O2+ MolecularWeight: 455.53158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC(=NC4=C(N=CN34)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC(=NC4=C(N=CN34)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C26H26N6O2/c27-24(33)23-25-29-21(20-9-5-2-6-10-20)17-22(32(25)18-28-23)26(34)31-15-13-30(14-16-31)12-11-19-7-3-1-4-8-19/h1-10,17-18H,11-16H2,(H2,27,33)/p+1