1-[1-azanyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[1-azanyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[1-amino-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazol-1-iumyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one Formula: C24H27N6O+ MolecularWeight: 415.51078

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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)C(C)(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C24H27N6O/c1-16(17-8-6-5-7-9-17)28-23-26-13-12-21(29-23)30(25)15-27-19-14-18(10-11-20(19)30)22(31)24(2,3)4/h5-16H,25H2,1-4H3,(H,26,28,29)/q+1