| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1CC1)c2ccc(cc2)c3cnc4c(nccn34)NCc5sccc5 |
| InChI | InChI | 1.03 | InChI=1S/C21H19N5OS/c27-21(25-16-7-8-16)15-5-3-14(4-6-15)18-13-24-20-19(22-9-10-26(18)20)23-12-17-2-1-11-28-17/h1-6,9-11,13,16H,7-8,12H2,(H,22,23)(H,25,27) |
| InChIKey | InChI | 1.03 | YUHKXKGPLTYXSO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NC1CC1)c2ccc(cc2)c3cnc4n3ccnc4NCc5sccc5 |
| SMILES | CACTVS | 3.385 | O=C(NC1CC1)c2ccc(cc2)c3cnc4n3ccnc4NCc5sccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(sc1)CNc2c3ncc(n3ccn2)c4ccc(cc4)C(=O)NC5CC5 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(sc1)CNc2c3ncc(n3ccn2)c4ccc(cc4)C(=O)NC5CC5 |
