| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H21N7O/c1-12(28-19-5-3-4-8-23-19)11-27-13(2)24-16-7-6-15(25-20(16)27)14-9-17(21)26-18(22)10-14/h3-10,12H,11H2,1-2H3,(H4,21,22,26)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | CCUMIOKJQCVBML-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccn4 |
| SMILES | CACTVS | 3.385 | C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccn3)c4cc(nc(c4)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2ccc(nc2n1CC(C)Oc3ccccn3)c4cc(nc(c4)N)N |
