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

Systemtic Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine Openeye Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-methyl-benzofuro[3,2-d]pyrimidin-4-amine CAS Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-methyl-4-benzofuro[3,2-d]pyrimidinamine IUPAC Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine Traditional Name: 3-(1H-imidazol-3-ium-3-yl)propyl-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)amine Formula: C17H18N5O+ MolecularWeight: 308.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NCCC[N+]3=CNC=C3)OC4=CC=CC=C42

Isomeric SMILES

CC1=NC2=C(C(=N1)NCCC[N+]3=CNC=C3)OC4=CC=CC=C42

InChI

InChI=1S/C17H17N5O/c1-12-20-15-13-5-2-3-6-14(13)23-16(15)17(21-12)19-7-4-9-22-10-8-18-11-22/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,19,20,21)/p+1