3-[(8-aminocarbonyl-2-phenyl-imidazo[1,5-a]pyrimidin-4-yl)carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(8-aminocarbonyl-2-phenyl-imidazo[1,5-a]pyrimidin-4-yl)carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(8-carbamoyl-2-phenyl-imidazo[1,5-a]pyrimidine-4-carbonyl)amino]propyl]-methyl-ammonium CAS Name: 3-[[(8-carbamoyl-2-phenyl-4-imidazo[1,5-a]pyrimidinyl)-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(8-carbamoyl-2-phenyl-imidazo[1,5-a]pyrimidine-4-carbonyl)amino]propyl]-methyl-ammonium Formula: C25H27N6O2+ MolecularWeight: 443.52088

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC(=NC2=C(N=CN12)C(=O)N)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC(=NC2=C(N=CN12)C(=O)N)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N6O2/c1-30(16-18-9-4-2-5-10-18)14-8-13-27-25(33)21-15-20(19-11-6-3-7-12-19)29-24-22(23(26)32)28-17-31(21)24/h2-7,9-12,15,17H,8,13-14,16H2,1H3,(H2,26,32)(H,27,33)/p+1