diethyl-[[1-hexyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: diethyl-[[1-hexyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: diethyl-[(1-hexyl-3,7-dimethyl-2,6-dioxo-purin-8-yl)methyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: diethyl-[(1-hexyl-3,7-dimethyl-2,6-dioxo-8-purinyl)methyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: diethyl-[(1-hexyl-3,7-dimethyl-2,6-dioxopurin-8-yl)methyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: diethyl-[(1-hexyl-2,6-diketo-3,7-dimethyl-purin-8-yl)methyl]ammonium binoxalate Formula: C20H33N5O6 MolecularWeight: 439.50592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C(N2C)C[NH+](CC)CC)N(C1=O)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C(N2C)C[NH+](CC)CC)N(C1=O)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H31N5O2.C2H2O4/c1-6-9-10-11-12-23-17(24)15-16(21(5)18(23)25)19-14(20(15)4)13-22(7-2)8-3;3-1(4)2(5)6/h6-13H2,1-5H3;(H,3,4)(H,5,6)