| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1C(=NN(C)C=2N=C(N)NC(=O)C1=2)CNc1nnn[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C9H10N10O2/c1-19-6-4(7(21)13-8(10)12-6)5(20)3(16-19)2-11-9-14-17-18-15-9/h2H2,1H3,(H3,10,12,13,21)(H2,11,14,15,17,18) |
| InChIKey | InChI | 1.06 | HPEOIAAOXXIKAO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1N=C(CNc2[nH]nnn2)C(=O)C3=C1N=C(N)NC3=O |
| SMILES | CACTVS | 3.385 | CN1N=C(CNc2[nH]nnn2)C(=O)C3=C1N=C(N)NC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN1C2=C(C(=O)C(=N1)CNc3[nH]nnn3)C(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN1C2=C(C(=O)C(=N1)CNc3[nH]nnn3)C(=O)NC(=N2)N |
