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

Systemtic Name: 2-ethyl-N-[3-(1H-imidazol-3-ium-3-yl)propyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine Openeye Name: 2-ethyl-N-[3-(1H-imidazol-3-ium-3-yl)propyl]benzofuro[3,2-d]pyrimidin-4-amine CAS Name: 2-ethyl-N-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-benzofuro[3,2-d]pyrimidinamine IUPAC Name: 2-ethyl-N-[3-(1H-imidazol-3-ium-3-yl)propyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine Traditional Name: (2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)-[3-(1H-imidazol-3-ium-3-yl)propyl]amine Formula: C18H20N5O+ MolecularWeight: 322.3843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)NCCC[N+]3=CNC=C3)OC4=CC=CC=C42

Isomeric SMILES

CCC1=NC2=C(C(=N1)NCCC[N+]3=CNC=C3)OC4=CC=CC=C42

InChI

InChI=1S/C18H19N5O/c1-2-15-21-16-13-6-3-4-7-14(13)24-17(16)18(22-15)20-8-5-10-23-11-9-19-12-23/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H,20,21,22)/p+1