2-phenyl-N4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide

Systemtic Name: 2-phenyl-N4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide Openeye Name: 2-phenyl-N4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide CAS Name: 2-phenyl-N4-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide IUPAC Name: 2-phenyl-4-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide Traditional Name: 2-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide Formula: C26H27N6O2+ MolecularWeight: 455.53158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=NC4=C(N=CN34)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=NC4=C(N=CN34)C(=O)N)C5=CC=CC=C5

InChI

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