| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(OCC)c1ccc2nc(sc2c1)c1cnn2cccnc21 |
| InChI | InChI | 1.06 | InChI=1S/C16H12N4O2S/c1-2-22-16(21)10-4-5-12-13(8-10)23-15(19-12)11-9-18-20-7-3-6-17-14(11)20/h3-9H,2H2,1H3 |
| InChIKey | InChI | 1.06 | JVMXVXLLSMSRTF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1ccc2nc(sc2c1)c3cnn4cccnc34 |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1ccc2nc(sc2c1)c3cnn4cccnc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)c1ccc2c(c1)sc(n2)c3cnn4c3nccc4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)c1ccc2c(c1)sc(n2)c3cnn4c3nccc4 |
