bis(trifluoromethylsulfonyl)azanide; 9-ethyl-1,3,7-trimethyl-purin-9-ium-2,6-dione

Systemtic Name: bis(trifluoromethylsulfonyl)azanide; 9-ethyl-1,3,7-trimethyl-purin-9-ium-2,6-dione Openeye Name: bis(trifluoromethylsulfonyl)azanide; 9-ethyl-1,3,7-trimethyl-purin-9-ium-2,6-dione CAS Name: bis(trifluoromethylsulfonyl)azanide; 9-ethyl-1,3,7-trimethylpurin-9-ium-2,6-dione IUPAC Name: bis(trifluoromethylsulfonyl)azanide; 9-ethyl-1,3,7-trimethylpurin-9-ium-2,6-dione Traditional Name: ditriflylazanide; 9-ethyl-1,3,7-trimethyl-purin-9-ium-2,6-quinone Formula: C12H15F6N5O6S2 MolecularWeight: 503.397819

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CN(C2=C1N(C(=O)N(C2=O)C)C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC[N+]1=CN(C2=C1N(C(=O)N(C2=O)C)C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C10H15N4O2.C2F6NO4S2/c1-5-14-6-11(2)7-8(14)12(3)10(16)13(4)9(7)15;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6H,5H2,1-4H3;/q+1;-1