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

Systemtic Name: 1-hexyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea Openeye Name: 1-hexyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea CAS Name: 1-hexyl-3-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]urea IUPAC Name: 1-hexyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea Traditional Name: 1-hexyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea Formula: C26H32N7O+ MolecularWeight: 458.57858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N[N+]1(C=NC2=CC=CC=C21)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCNC(=O)N[N+]1(C=NC2=CC=CC=C21)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C26H31N7O/c1-3-4-5-11-17-28-26(34)32-33(19-29-22-14-9-10-15-23(22)33)24-16-18-27-25(31-24)30-20(2)21-12-7-6-8-13-21/h6-10,12-16,18-20H,3-5,11,17H2,1-2H3,(H2-,27,28,30,31,32,34)/p+1