| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1cc2CNCc2cc1)c1cc2ncccc2s1 |
| InChI | InChI | 1.06 | InChI=1S/C16H13N3OS/c20-16(15-7-13-14(21-15)2-1-5-18-13)19-12-4-3-10-8-17-9-11(10)6-12/h1-7,17H,8-9H2,(H,19,20) |
| InChIKey | InChI | 1.06 | YHOOYPROOXBLEU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccc2CNCc2c1)c3sc4cccnc4c3 |
| SMILES | CACTVS | 3.385 | O=C(Nc1ccc2CNCc2c1)c3sc4cccnc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc(s2)C(=O)Nc3ccc4c(c3)CNC4)nc1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc(s2)C(=O)Nc3ccc4c(c3)CNC4)nc1 |
