2-azanyl-1-[1-azanyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]ethanone

Systemtic Name: 2-azanyl-1-[1-azanyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]ethanone Openeye Name: 2-amino-1-[1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]ethanone CAS Name: 2-amino-1-[1-amino-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazol-1-iumyl]ethanone IUPAC Name: 2-amino-1-[1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]ethanone Traditional Name: 2-amino-1-[1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]ethanone Formula: C21H22N7O+ MolecularWeight: 388.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)CN)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)CN)N

InChI

InChI=1S/C21H22N7O/c1-14(15-5-3-2-4-6-15)26-21-24-10-9-20(27-21)28(23)13-25-17-11-16(19(29)12-22)7-8-18(17)28/h2-11,13-14H,12,22-23H2,1H3,(H,24,26,27)/q+1