| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1ccn(c1)[Cu](n2ccnc2)(O)(O)(n3ccnc3)n4ccnc4 |
| InChI | InChI | 1.03 | InChI=1S/4C3H3N2.Cu.2H2O/c4*1-2-5-3-4-1;;;/h4*1-3H;;2*1H2/q4*-1;+4;; |
| InChIKey | InChI | 1.03 | QHMVDLPUUJNKGZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O|[Cu](|O)(n1ccnc1)(n2ccnc2)(n3ccnc3)n4ccnc4 |
| SMILES | CACTVS | 3.370 | O|[Cu](|O)(n1ccnc1)(n2ccnc2)(n3ccnc3)n4ccnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cn(cn1)[Cu](n2ccnc2)(n3ccnc3)(n4ccnc4)([OH2])[OH2] |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cn(cn1)[Cu](n2ccnc2)(n3ccnc3)(n4ccnc4)([OH2])[OH2] |
