| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CN1CCC(C(O)=O)CC1)Sc3nc2c(C(N(C)C(N2C)=O)=O)n3 |
| InChI | InChI | 1.03 | InChI=1S/C15H21N5O4S/c1-18-11-10(12(21)19(2)15(18)24)16-14(17-11)25-8-7-20-5-3-9(4-6-20)13(22)23/h9H,3-8H2,1-2H3,(H,16,17)(H,22,23) |
| InChIKey | InChI | 1.03 | SRBZGKUKUDZIDS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)c2nc([nH]c2C1=O)SCCN3CCC(CC3)C(O)=O |
| SMILES | CACTVS | 3.385 | CN1C(=O)N(C)c2nc([nH]c2C1=O)SCCN3CCC(CC3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2c([nH]c(n2)SCCN3CCC(CC3)C(=O)O)C(=O)N(C1=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2c([nH]c(n2)SCCN3CCC(CC3)C(=O)O)C(=O)N(C1=O)C |
