2-[7,8-bis(chloranyl)-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[7,8-bis(chloranyl)-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]ethyl-diethyl-azanium chloride Openeye Name: 2-(7,8-dichloro-2,4-dioxo-benzo[g]pteridin-10-yl)ethyl-diethyl-ammonium chloride CAS Name: 2-(7,8-dichloro-2,4-dioxo-10-benzo[g]pteridinyl)ethyl-diethylammonium chloride IUPAC Name: 2-(7,8-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)ethyl-diethylazanium chloride Traditional Name: 2-(7,8-dichloro-2,4-diketo-benzo[g]pteridin-10-yl)ethyl-diethyl-ammonium chloride Formula: C16H18Cl3N5O2 MolecularWeight: 418.70542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC(=C(C=C2N=C3C1=NC(=O)NC3=O)Cl)Cl.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC(=C(C=C2N=C3C1=NC(=O)NC3=O)Cl)Cl.[Cl-]

InChI

InChI=1S/C16H17Cl2N5O2.ClH/c1-3-22(4-2)5-6-23-12-8-10(18)9(17)7-11(12)19-13-14(23)20-16(25)21-15(13)24;/h7-8H,3-6H2,1-2H3,(H,21,24,25);1H