| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)C(C)C1=NNC=2N=C(N)NC(=O)C=2C1=O |
| InChI | InChI | 1.06 | InChI=1S/C9H9N5O4/c1-2(8(17)18)4-5(15)3-6(14-13-4)11-9(10)12-7(3)16/h2H,1H3,(H,17,18)(H4,10,11,12,14,15,16)/t2-/m0/s1 |
| InChIKey | InChI | 1.06 | GMTZUGVMBRNPHI-REOHCLBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](C(O)=O)C1=NNC2=C(C(=O)NC(=N2)N)C1=O |
| SMILES | CACTVS | 3.385 | C[CH](C(O)=O)C1=NNC2=C(C(=O)NC(=N2)N)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H](C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O |
