| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(c1ccc(NC(=[N@H])N)cc1)N |
| InChI | InChI | 1.03 | InChI=1S/C8H13N4O3P/c9-7(16(13,14)15)5-1-3-6(4-2-5)12-8(10)11/h1-4,7H,9H2,(H4,10,11,12)(H2,13,14,15)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | BSLYPYFABFFNHY-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](c1ccc(NC(N)=N)cc1)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](c1ccc(NC(N)=N)cc1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(/N)\Nc1ccc(cc1)[C@H](N)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(N)P(=O)(O)O)NC(=N)N |
