| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c41nccnc1C3CC2CN(C(OC)=O)CC2(O3)C4 |
| InChI | InChI | 1.03 | InChI=1S/C13H15N3O3/c1-18-12(17)16-6-8-4-10-11-9(14-2-3-15-11)5-13(8,7-16)19-10/h2-3,8,10H,4-7H2,1H3/t8-,10-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | CTKPJJRUGQCIDS-GMOODISLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)N1C[C@@H]2C[C@@H]3O[C@@]2(C1)Cc4nccnc34 |
| SMILES | CACTVS | 3.385 | COC(=O)N1C[CH]2C[CH]3O[C]2(C1)Cc4nccnc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)N1C[C@@H]2C[C@H]3c4c(nccn4)C[C@]2(C1)O3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)N1CC2CC3c4c(nccn4)CC2(C1)O3 |
