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

Systemtic Name: [1-azanyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-naphthalen-1-yl-methanone Openeye Name: [1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-(1-naphthyl)methanone CAS Name: [1-amino-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazol-1-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-naphthalen-1-ylmethanone Traditional Name: [1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-(1-naphthyl)methanone Formula: C30H25N6O+ MolecularWeight: 485.5591

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)C5=CC=CC6=CC=CC=C65)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)C5=CC=CC6=CC=CC=C65)N

InChI

InChI=1S/C30H25N6O/c1-20(21-8-3-2-4-9-21)34-30-32-17-16-28(35-30)36(31)19-33-26-18-23(14-15-27(26)36)29(37)25-13-7-11-22-10-5-6-12-24(22)25/h2-20H,31H2,1H3,(H,32,34,35)/q+1