| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/4C3H4N2.Cu.2H2O/c4*1-2-5-3-4-1;;;/h4*1-3H,(H,4,5);;2*1H2/q;;;;+1;; |
| InChIKey | InChI | 1.06 | HBZDUNQUBNOQIC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O.[Cu+].[nH]1ccnc1.[nH]2ccnc2.[nH]3ccnc3.[nH]4ccnc4 |
| SMILES | CACTVS | 3.385 | O.O.[Cu+].[nH]1ccnc1.[nH]2ccnc2.[nH]3ccnc3.[nH]4ccnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=C[N](=CN1)[Cu+]([N]2=CNC=C2)([N]3=CNC=C3)([N]4=CNC=C4)([OH2])[OH2] |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=C[N](=CN1)[Cu+]([N]2=CNC=C2)([N]3=CNC=C3)([N]4=CNC=C4)([OH2])[OH2] |
