| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(O)(c1ccccc1)C(C)Nc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C16H18N4O/c1-11(16(2,21)12-6-4-3-5-7-12)20-15-13-8-9-17-14(13)18-10-19-15/h3-11,21H,1-2H3,(H2,17,18,19,20)/t11-,16-/m0/s1 |
| InChIKey | InChI | 1.06 | JMBSGRSUBPVPEF-ZBEGNZNMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Nc1ncnc2[nH]ccc12)[C@](C)(O)c3ccccc3 |
| SMILES | CACTVS | 3.385 | C[CH](Nc1ncnc2[nH]ccc12)[C](C)(O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H]([C@@](C)(c1ccccc1)O)Nc2c3cc[nH]c3ncn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C(C)(c1ccccc1)O)Nc2c3cc[nH]c3ncn2 |
