| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC)Nc3ncc(Sc1ncccc1)cc3Oc2cccnc2CC |
| InChI | InChI | 1.03 | InChI=1S/C19H19N5O2S/c1-3-14-15(7-6-10-21-14)26-16-11-13(27-17-8-4-5-9-22-17)12-23-18(16)24-19(25)20-2/h4-12H,3H2,1-2H3,(H2,20,23,24,25) |
| InChIKey | InChI | 1.03 | PIGWQTQWPKNWHF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ncccc1Oc2cc(Sc3ccccn3)cnc2NC(=O)NC |
| SMILES | CACTVS | 3.385 | CCc1ncccc1Oc2cc(Sc3ccccn3)cnc2NC(=O)NC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1c(cccn1)Oc2cc(cnc2NC(=O)NC)Sc3ccccn3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCc1c(cccn1)Oc2cc(cnc2NC(=O)NC)Sc3ccccn3 |
