| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C1OC(=NN1)c4c(ncc(c2cc3ccccc3nc2)c4)N |
| InChI | InChI | 1.03 | InChI=1S/C16H11N5OS/c17-14-12(15-20-21-16(23)22-15)6-11(8-19-14)10-5-9-3-1-2-4-13(9)18-7-10/h1-8H,(H2,17,19)(H,21,23) |
| InChIKey | InChI | 1.03 | BIPBSLWNCVJIOQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncc(cc1C2=NNC(=S)O2)c3cnc4ccccc4c3 |
| SMILES | CACTVS | 3.385 | Nc1ncc(cc1C2=NNC(=S)O2)c3cnc4ccccc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cc(cn2)c3cc(c(nc3)N)C4=NNC(=S)O4 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cc(cn2)c3cc(c(nc3)N)C4=NNC(=S)O4 |
