| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)CN(C1COCC1N)C(=O)Cn1cnc2c(N)ncnc21 |
| InChI | InChI | 1.03 | InChI=1S/C13H17N7O4/c14-7-3-24-4-8(7)20(2-10(22)23)9(21)1-19-6-18-11-12(15)16-5-17-13(11)19/h5-8H,1-4,14H2,(H,22,23)(H2,15,16,17)/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | NDSRPVXXSCHUPN-YUMQZZPRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1COC[C@@H]1N(CC(O)=O)C(=O)Cn2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.385 | N[CH]1COC[CH]1N(CC(O)=O)C(=O)Cn2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)[C@H]3COC[C@@H]3N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)C3COCC3N)N |
