5,7-dibutyl-5,7-bis(oxidanidyl)-1H-pyrazolo[3,4-d]pyrimidine-5,7-diium-4,6-dione

Systemtic Name: 5,7-dibutyl-5,7-bis(oxidanidyl)-1H-pyrazolo[3,4-d]pyrimidine-5,7-diium-4,6-dione Openeye Name: 5,7-dibutyl-5,7-dioxido-1H-pyrazolo[3,4-d]pyrimidine-5,7-diium-4,6-dione CAS Name: 5,7-dibutyl-5,7-dioxido-1H-pyrazolo[3,4-d]pyrimidine-5,7-diium-4,6-dione IUPAC Name: 5,7-dibutyl-5,7-dioxido-1H-pyrazolo[3,4-d]pyrimidine-5,7-diium-4,6-dione Traditional Name: 5,7-dibutyl-5,7-dioxido-1H-pyrazolo[3,4-d]pyrimidine-5,7-diium-4,6-quinone Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C2=C(C=NN2)C(=O)[N+](C1=O)(CCCC)[O-])[O-]

Isomeric SMILES

CCCC[N+]1(C2=C(C=NN2)C(=O)[N+](C1=O)(CCCC)[O-])[O-]

InChI

InChI=1S/C13H20N4O4/c1-3-5-7-16(20)11-10(9-14-15-11)12(18)17(21,13(16)19)8-6-4-2/h9H,3-8H2,1-2H3,(H,14,15)