| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c2c1nc(cnc1nc2)C3CC3)NC(C)C(O)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H20N4O2/c1-8(15(2,3)21)18-14(20)10-6-16-13-12(10)19-11(7-17-13)9-4-5-9/h6-9,21H,4-5H2,1-3H3,(H,16,17)(H,18,20)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | ODYYFDDUIDLRBK-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C3CC3)C(C)(C)O |
| SMILES | CACTVS | 3.370 | C[CH](NC(=O)c1c[nH]c2ncc(nc12)C3CC3)C(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3 |
