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

Systemtic Name: 1-tert-butyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea Openeye Name: 1-tert-butyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea CAS Name: 1-tert-butyl-3-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]urea IUPAC Name: 1-tert-butyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea Traditional Name: 1-tert-butyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea Formula: C24H28N7O+ MolecularWeight: 430.52542

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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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H27N7O/c1-17(18-10-6-5-7-11-18)27-22-25-15-14-21(28-22)31(30-23(32)29-24(2,3)4)16-26-19-12-8-9-13-20(19)31/h5-17H,1-4H3,(H2-,25,27,28,29,30,32)/p+1