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

Systemtic Name: diethyl-[2-[1-methyl-2,6-bis(oxidanylidene)-7H-purin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-(1-methyl-2,6-dioxo-7H-purin-3-yl)ethyl]ammonium CAS Name: diethyl-[2-(1-methyl-2,6-dioxo-7H-purin-3-yl)ethyl]ammonium IUPAC Name: diethyl-[2-(1-methyl-2,6-dioxo-7H-purin-3-yl)ethyl]azanium Traditional Name: 2-(2,6-diketo-1-methyl-7H-purin-3-yl)ethyl-diethyl-ammonium Formula: C12H20N5O2+ MolecularWeight: 266.3195

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=C(C(=O)N(C1=O)C)NC=N2

Isomeric SMILES

CC[NH+](CC)CCN1C2=C(C(=O)N(C1=O)C)NC=N2

InChI

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