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

Systemtic Name: 1-cyclohexyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea Openeye Name: 1-cyclohexyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea CAS Name: 1-cyclohexyl-3-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]urea IUPAC Name: 1-cyclohexyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea Traditional Name: 1-cyclohexyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea Formula: C26H30N7O+ MolecularWeight: 456.5627

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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)NC5CCCCC5

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NC(=O)NC5CCCCC5

InChI

InChI=1S/C26H29N7O/c1-19(20-10-4-2-5-11-20)29-25-27-17-16-24(31-25)33(18-28-22-14-8-9-15-23(22)33)32-26(34)30-21-12-6-3-7-13-21/h2,4-5,8-11,14-19,21H,3,6-7,12-13H2,1H3,(H2-,27,29,30,31,32,34)/p+1