1,3,7-trimethyl-9-oxidanidyl-8-(4-oxidanidylmorpholin-4-ium-4-yl)purin-9-ium-2,6-dione

Systemtic Name: 1,3,7-trimethyl-9-oxidanidyl-8-(4-oxidanidylmorpholin-4-ium-4-yl)purin-9-ium-2,6-dione Openeye Name: 1,3,7-trimethyl-9-oxido-8-(4-oxidomorpholin-4-ium-4-yl)purin-9-ium-2,6-dione CAS Name: 1,3,7-trimethyl-9-oxido-8-(4-oxido-4-morpholin-4-iumyl)purin-9-ium-2,6-dione IUPAC Name: 1,3,7-trimethyl-9-oxido-8-(4-oxidomorpholin-4-ium-4-yl)purin-9-ium-2,6-dione Traditional Name: 1,3,7-trimethyl-9-oxido-8-(4-oxidomorpholin-4-ium-4-yl)purin-9-ium-2,6-quinone Formula: C12H17N5O5 MolecularWeight: 311.29388

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N(C(=O)N(C2=O)C)C)[N+](=C1[N+]3(CCOCC3)[O-])[O-]

Isomeric SMILES

CN1C2=C(N(C(=O)N(C2=O)C)C)[N+](=C1[N+]3(CCOCC3)[O-])[O-]

InChI

InChI=1S/C12H17N5O5/c1-13-8-9(14(2)12(19)15(3)10(8)18)16(20)11(13)17(21)4-6-22-7-5-17/h4-7H2,1-3H3