| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S=C1OC(=NN1)c4cc2c(ncn2c3ccc(OC)cc3)cc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1)n2cnc3ccc(cc23)C4=NNC(=S)O4 |
| SMILES | CACTVS | 3.341 | COc1ccc(cc1)n2cnc3ccc(cc23)C4=NNC(=S)O4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)n2cnc3c2cc(cc3)C4=NNC(=S)O4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)n2cnc3c2cc(cc3)C4=NNC(=S)O4 |
| InChI | InChI | 1.03 | InChI=1S/C16H12N4O2S/c1-21-12-5-3-11(4-6-12)20-9-17-13-7-2-10(8-14(13)20)15-18-19-16(23)22-15/h2-9H,1H3,(H,19,23) |
| InChIKey | InChI | 1.03 | QBVJMUOTMRYUKR-UHFFFAOYSA-N |
