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

Systemtic Name: 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]-3-prop-2-enyl-urea Openeye Name: 1-allyl-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-prop-2-enylurea IUPAC Name: 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]-3-prop-2-enylurea Traditional Name: 1-allyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]urea Formula: C23H24N7O+ MolecularWeight: 414.48296

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C23H23N7O/c1-3-14-25-23(31)29-30(16-26-19-11-7-8-12-20(19)30)21-13-15-24-22(28-21)27-17(2)18-9-5-4-6-10-18/h3-13,15-17H,1,14H2,2H3,(H2-,24,25,27,28,29,31)/p+1