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

Systemtic Name: diethyl-[2-[3-methyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]ethyl]azanium chloride Openeye Name: diethyl-[2-(3-methyl-2,6-dioxo-7H-purin-1-yl)ethyl]ammonium chloride CAS Name: diethyl-[2-(3-methyl-2,6-dioxo-7H-purin-1-yl)ethyl]ammonium chloride IUPAC Name: diethyl-[2-(3-methyl-2,6-dioxo-7H-purin-1-yl)ethyl]azanium chloride Traditional Name: 2-(2,6-diketo-3-methyl-7H-purin-1-yl)ethyl-diethyl-ammonium chloride Formula: C12H20ClN5O2 MolecularWeight: 301.7725

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(N=CN2)N(C1=O)C.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(N=CN2)N(C1=O)C.[Cl-]

InChI

InChI=1S/C12H19N5O2.ClH/c1-4-16(5-2)6-7-17-11(18)9-10(14-8-13-9)15(3)12(17)19;/h8H,4-7H2,1-3H3,(H,13,14);1H