[3-azanyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-3-ium-5-yl]-phenyl-methanone

Systemtic Name: [3-azanyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-3-ium-5-yl]-phenyl-methanone Openeye Name: [3-amino-3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-3-ium-5-yl]-phenyl-methanone CAS Name: [3-amino-3-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazol-3-iumyl]-phenylmethanone IUPAC Name: [3-amino-3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-3-ium-5-yl]-phenylmethanone Traditional Name: [3-amino-3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-3-ium-5-yl]-phenyl-methanone Formula: C26H23N6O+ MolecularWeight: 435.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=C(C=C4)C(=O)C5=CC=CC=C5)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=C(C=C4)C(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C26H23N6O/c1-18(19-8-4-2-5-9-19)30-26-28-15-14-24(31-26)32(27)17-29-22-13-12-21(16-23(22)32)25(33)20-10-6-3-7-11-20/h2-18H,27H2,1H3,(H,28,30,31)/q+1