N-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

Systemtic Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine Openeye Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-phenyl-benzofuro[3,2-d]pyrimidin-4-amine CAS Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-phenyl-4-benzofuro[3,2-d]pyrimidinamine IUPAC Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine Traditional Name: 3-(1H-imidazol-3-ium-3-yl)propyl-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amine Formula: C22H20N5O+ MolecularWeight: 370.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C(=N2)NCCC[N+]4=CNC=C4)OC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C(=N2)NCCC[N+]4=CNC=C4)OC5=CC=CC=C53

InChI

InChI=1S/C22H19N5O/c1-2-7-16(8-3-1)21-25-19-17-9-4-5-10-18(17)28-20(19)22(26-21)24-11-6-13-27-14-12-23-15-27/h1-5,7-10,12,14-15H,6,11,13H2,(H,24,25,26)/p+1