1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea CAS Name: 1-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea Traditional Name: 1-benzyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea Formula: C27H26N7O+ MolecularWeight: 464.54164

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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)NC(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H25N7O/c1-20(22-12-6-3-7-13-22)31-26-28-17-16-25(32-26)34(19-30-23-14-8-9-15-24(23)34)33-27(35)29-18-21-10-4-2-5-11-21/h2-17,19-20H,18H2,1H3,(H2-,28,29,31,32,33,35)/p+1