[1-azanyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-(3,5-dimethoxyphenyl)methanone

Systemtic Name: [1-azanyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-(3,5-dimethoxyphenyl)methanone Openeye Name: [1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-(3,5-dimethoxyphenyl)methanone CAS Name: [1-amino-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazol-1-iumyl]-(3,5-dimethoxyphenyl)methanone IUPAC Name: [1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-(3,5-dimethoxyphenyl)methanone Traditional Name: [1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-(3,5-dimethoxyphenyl)methanone Formula: C28H27N6O3+ MolecularWeight: 495.55238

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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)C5=CC(=CC(=C5)OC)OC)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)C5=CC(=CC(=C5)OC)OC)N

InChI

InChI=1S/C28H27N6O3/c1-18(19-7-5-4-6-8-19)32-28-30-12-11-26(33-28)34(29)17-31-24-15-20(9-10-25(24)34)27(35)21-13-22(36-2)16-23(14-21)37-3/h4-18H,29H2,1-3H3,(H,30,32,33)/q+1