4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine

Systemtic Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]benzofuro[3,2-d]pyrimidine CAS Name: 4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazin-4-iumyl]benzofuro[3,2-d]pyrimidine IUPAC Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]benzofuro[3,2-d]pyrimidine Formula: C22H21N6O+ MolecularWeight: 385.44174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3N2)C4=NC=NC5=C4OC6=CC=CC=C65

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3N2)C4=NC=NC5=C4OC6=CC=CC=C65

InChI

InChI=1S/C22H20N6O/c1-4-8-18-15(5-1)20-21(29-18)22(24-14-23-20)28-11-9-27(10-12-28)13-19-25-16-6-2-3-7-17(16)26-19/h1-8,14H,9-13H2,(H,25,26)/p+1