1,3,7,9-tetramethylpurin-9-ium-2,6-dione

Systemtic Name: 1,3,7,9-tetramethylpurin-9-ium-2,6-dione Openeye Name: 1,3,7,9-tetramethylpurin-9-ium-2,6-dione CAS Name: 1,3,7,9-tetramethylpurin-9-ium-2,6-dione IUPAC Name: 1,3,7,9-tetramethylpurin-9-ium-2,6-dione Traditional Name: 1,3,7,9-tetramethylpurin-9-ium-2,6-quinone Formula: C9H13N4O2+ MolecularWeight: 209.22512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=O)N(C(=O)N2C)C)C

Isomeric SMILES

CN1C=[N+](C2=C1C(=O)N(C(=O)N2C)C)C

InChI

InChI=1S/C9H13N4O2/c1-10-5-11(2)7-6(10)8(14)13(4)9(15)12(7)3/h5H,1-4H3/q+1