2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl-diethyl-azanium Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl-diethyl-ammonium CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl-diethylammonium IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-diethylazanium Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl-diethyl-ammonium Formula: C13H22N5O2+ MolecularWeight: 280.34608

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC[NH+](CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H21N5O2/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3/h9H,5-8H2,1-4H3/p+1