8-(diethoxymethyl)-1,3-dimethyl-purin-3-ium-2,6-dione

Systemtic Name: 8-(diethoxymethyl)-1,3-dimethyl-purin-3-ium-2,6-dione Openeye Name: 8-(diethoxymethyl)-1,3-dimethyl-purin-3-ium-2,6-dione CAS Name: 8-(diethoxymethyl)-1,3-dimethylpurin-3-ium-2,6-dione IUPAC Name: 8-(diethoxymethyl)-1,3-dimethylpurin-3-ium-2,6-dione Traditional Name: 8-(diethoxymethyl)-1,3-dimethyl-purin-3-ium-2,6-quinone Formula: C12H17N4O4+ MolecularWeight: 281.28778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=NC2=[N+](C(=O)N(C(=O)C2=N1)C)C)OCC

Isomeric SMILES

CCOC(C1=NC2=[N+](C(=O)N(C(=O)C2=N1)C)C)OCC

InChI

InChI=1S/C12H17N4O4/c1-5-19-11(20-6-2)8-13-7-9(14-8)15(3)12(18)16(4)10(7)17/h11H,5-6H2,1-4H3/q+1