| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)CN1c2ccc(O)cc2S\C1=N/C(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)CN1C(Sc2cc(O)ccc12)=NC(N)=N |
| SMILES | CACTVS | 3.370 | CCOC(=O)CN1C(Sc2cc(O)ccc12)=NC(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(\N)/N=C\1/N(c2ccc(cc2S1)O)CC(=O)OCC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCOC(=O)CN1c2ccc(cc2SC1=NC(=N)N)O |
| InChI | InChI | 1.03 | InChI=1S/C12H14N4O3S/c1-2-19-10(18)6-16-8-4-3-7(17)5-9(8)20-12(16)15-11(13)14/h3-5,17H,2,6H2,1H3,(H3,13,14)/b15-12- |
| InChIKey | InChI | 1.03 | QHEKEKSMRXTAKP-QINSGFPZSA-N |
