N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]methanesulfonamide

Systemtic Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]methanesulfonamide Openeye Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]methanesulfonamide CAS Name: N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]methanesulfonamide IUPAC Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]methanesulfonamide Traditional Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]methanesulfonamide Formula: C20H21N6O2S+ MolecularWeight: 409.48474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NS(=O)(=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NS(=O)(=O)C

InChI

InChI=1S/C20H21N6O2S/c1-15(16-8-4-3-5-9-16)23-20-21-13-12-19(24-20)26(25-29(2,27)28)14-22-17-10-6-7-11-18(17)26/h3-15,25H,1-2H3,(H,21,23,24)/q+1