| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1cc(cc2c1nc(nc2N)N)N(Cc3cc(OC)ccc3OC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c3c2)c1 |
| SMILES | CACTVS | 3.341 | COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c3c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@](Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3nc2)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3nc2)N)N |
| InChI | InChI | 1.03 | InChI=1S/C17H20N6O2/c1-23(9-10-6-12(24-2)4-5-14(10)25-3)11-7-13-15(18)21-17(19)22-16(13)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22) |
| InChIKey | InChI | 1.03 | HZTFNSCZLJLPEO-UHFFFAOYSA-N |
