| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CN(C(=O)Cn1c2ncnc(c2nc1)N)CC(N)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](N)CN(CC(O)=O)C(=O)Cn1cnc2c(N)ncnc12 |
| SMILES | CACTVS | 3.370 | C[CH](N)CN(CC(O)=O)C(=O)Cn1cnc2c(N)ncnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1ncnc2N)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(CN(CC(=O)O)C(=O)Cn1cnc2c1ncnc2N)N |
| InChI | InChI | 1.03 | InChI=1S/C12H17N7O3/c1-7(13)2-18(4-9(21)22)8(20)3-19-6-17-10-11(14)15-5-16-12(10)19/h5-7H,2-4,13H2,1H3,(H,21,22)(H2,14,15,16)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | XTYSVUVMWQVHKO-ZETCQYMHSA-N |
