N'-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine

Systemtic Name: N'-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine Openeye Name: N'-(benzofuro[3,2-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine CAS Name: N'-(4-benzofuro[3,2-d]pyrimidinyl)-N-(2-pyridin-1-iumyl)ethane-1,2-diamine IUPAC Name: N'-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-ylethane-1,2-diamine Traditional Name: benzofuro[3,2-d]pyrimidin-4-yl-[2-(pyridin-1-ium-2-ylamino)ethyl]amine Formula: C17H16N5O+ MolecularWeight: 306.34184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NCCNC4=CC=CC=[NH+]4

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NCCNC4=CC=CC=[NH+]4

InChI

InChI=1S/C17H15N5O/c1-2-6-13-12(5-1)15-16(23-13)17(22-11-21-15)20-10-9-19-14-7-3-4-8-18-14/h1-8,11H,9-10H2,(H,18,19)(H,20,21,22)/p+1