2-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine

Systemtic Name: 2-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-phenyl-benzofuro[3,2-d]pyrimidine CAS Name: 2-phenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzofuro[3,2-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-phenyl-benzofuro[3,2-d]pyrimidine Formula: C27H25N4O+ MolecularWeight: 421.5136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=NC4=C3OC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=NC4=C3OC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C27H24N4O/c1-3-9-20(10-4-1)19-30-15-17-31(18-16-30)27-25-24(22-13-7-8-14-23(22)32-25)28-26(29-27)21-11-5-2-6-12-21/h1-14H,15-19H2/p+1