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

Systemtic Name: 4-[4-(3-methylphenyl)piperazin-4-ium-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-[4-(m-tolyl)piperazin-4-ium-1-yl]-2-phenyl-benzofuro[3,2-d]pyrimidine CAS Name: 4-[4-(3-methylphenyl)-1-piperazin-4-iumyl]-2-phenylbenzofuro[3,2-d]pyrimidine IUPAC Name: 4-[4-(3-methylphenyl)piperazin-4-ium-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-[4-(m-tolyl)piperazin-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:

CC1=CC(=CC=C1)[NH+]2CCN(CC2)C3=NC(=NC4=C3OC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)[NH+]2CCN(CC2)C3=NC(=NC4=C3OC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C27H24N4O/c1-19-8-7-11-21(18-19)30-14-16-31(17-15-30)27-25-24(22-12-5-6-13-23(22)32-25)28-26(29-27)20-9-3-2-4-10-20/h2-13,18H,14-17H2,1H3/p+1