N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

Systemtic Name: N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine Openeye Name: N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-2-methyl-benzofuro[3,2-d]pyrimidin-4-amine CAS Name: N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-2-methyl-4-benzofuro[3,2-d]pyrimidinamine IUPAC Name: N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine Traditional Name: 2-(1H-imidazol-3-ium-5-yl)ethyl-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)amine Formula: C16H16N5O+ MolecularWeight: 294.33114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NCCC3=C[NH+]=CN3)OC4=CC=CC=C42

Isomeric SMILES

CC1=NC2=C(C(=N1)NCCC3=C[NH+]=CN3)OC4=CC=CC=C42

InChI

InChI=1S/C16H15N5O/c1-10-20-14-12-4-2-3-5-13(12)22-15(14)16(21-10)18-7-6-11-8-17-9-19-11/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,18,20,21)/p+1