1,7,9-trimethyl-3H-purin-9-ium-2,6-dione

Systemtic Name: 1,7,9-trimethyl-3H-purin-9-ium-2,6-dione Openeye Name: 1,7,9-trimethyl-3H-purin-9-ium-2,6-dione CAS Name: 1,7,9-trimethyl-3H-purin-9-ium-2,6-dione IUPAC Name: 1,7,9-trimethyl-3H-purin-9-ium-2,6-dione Traditional Name: 1,7,9-trimethyl-3H-purin-9-ium-2,6-quinone Formula: C8H11N4O2+ MolecularWeight: 195.19854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=O)N(C(=O)N2)C)C

Isomeric SMILES

CN1C=[N+](C2=C1C(=O)N(C(=O)N2)C)C

InChI

InChI=1S/C8H10N4O2/c1-10-4-11(2)6-5(10)7(13)12(3)8(14)9-6/h4H,1-3H3/p+1