| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C4CCC(c3nc(c1sccc1C2CC2)cnc3N)CC4 |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1ncc(nc1[C@H]2CC[C@H](CC2)C(O)=O)c3sccc3C4CC4 |
| SMILES | CACTVS | 3.352 | Nc1ncc(nc1[CH]2CC[CH](CC2)C(O)=O)c3sccc3C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1csc(c1C2CC2)c3cnc(c(n3)C4CCC(CC4)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1csc(c1C2CC2)c3cnc(c(n3)C4CCC(CC4)C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C18H21N3O2S/c19-17-15(11-3-5-12(6-4-11)18(22)23)21-14(9-20-17)16-13(7-8-24-16)10-1-2-10/h7-12H,1-6H2,(H2,19,20)(H,22,23)/t11-,12+ |
| InChIKey | InChI | 1.03 | UESQMXBXMMVHBA-TXEJJXNPSA-N |
