| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CN(C(=O)Cn1c2N=C(NC(=O)c2nc1)N)CC(N)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](N)CN(CC(O)=O)C(=O)Cn1cnc2C(=O)NC(=Nc12)N |
| SMILES | CACTVS | 3.370 | C[CH](N)CN(CC(O)=O)C(=O)Cn1cnc2C(=O)NC(=Nc12)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1N=C(NC2=O)N)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(CN(CC(=O)O)C(=O)Cn1cnc2c1N=C(NC2=O)N)N |
| InChI | InChI | 1.03 | InChI=1S/C12H17N7O4/c1-6(13)2-18(4-8(21)22)7(20)3-19-5-15-9-10(19)16-12(14)17-11(9)23/h5-6H,2-4,13H2,1H3,(H,21,22)(H3,14,16,17,23)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | KMNPWJULLUAIHL-LURJTMIESA-N |
