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

Systemtic Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine Openeye Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]benzofuro[3,2-d]pyrimidin-4-amine CAS Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-benzofuro[3,2-d]pyrimidinamine IUPAC Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine Traditional Name: benzofuro[3,2-d]pyrimidin-4-yl-[3-(1H-imidazol-3-ium-3-yl)propyl]amine Formula: C16H16N5O+ MolecularWeight: 294.33114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NCCC[N+]4=CNC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NCCC[N+]4=CNC=C4

InChI

InChI=1S/C16H15N5O/c1-2-5-13-12(4-1)14-15(22-13)16(20-10-19-14)18-6-3-8-21-9-7-17-11-21/h1-2,4-5,7,9-11H,3,6,8H2,(H,18,19,20)/p+1