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

Systemtic Name: 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]-3-propan-2-yl-urea Openeye Name: 1-isopropyl-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-propan-2-ylurea IUPAC Name: 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea Formula: C23H26N7O+ MolecularWeight: 416.49884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N7O/c1-16(2)26-23(31)29-30(15-25-19-11-7-8-12-20(19)30)21-13-14-24-22(28-21)27-17(3)18-9-5-4-6-10-18/h4-17H,1-3H3,(H2-,24,26,27,28,29,31)/p+1