2-[2,6-bis(oxidanylidene)-3-(phenylmethyl)-9H-purin-7-ium-7-yl]ethyl-diethyl-azanium dichloride

Systemtic Name: 2-[2,6-bis(oxidanylidene)-3-(phenylmethyl)-9H-purin-7-ium-7-yl]ethyl-diethyl-azanium dichloride Openeye Name: 2-(3-benzyl-2,6-dioxo-9H-purin-7-ium-7-yl)ethyl-diethyl-ammonium dichloride CAS Name: 2-[2,6-dioxo-3-(phenylmethyl)-9H-purin-7-ium-7-yl]ethyl-diethylammonium dichloride IUPAC Name: 2-(3-benzyl-2,6-dioxo-9H-purin-7-ium-7-yl)ethyl-diethylazanium dichloride Traditional Name: 2-(3-benzyl-2,6-diketo-9H-purin-7-ium-7-yl)ethyl-diethyl-ammonium dichloride Formula: C18H25Cl2N5O2 MolecularWeight: 414.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[N+]1=CNC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CC[N+]1=CNC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C18H23N5O2.2ClH/c1-3-21(4-2)10-11-22-13-19-16-15(22)17(24)20-18(25)23(16)12-14-8-6-5-7-9-14;;/h5-9,13H,3-4,10-12H2,1-2H3,(H,20,24,25);2*1H