| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(N)c4c(nc1N)cccc4Sc3ccc(N2CCOCC2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1nc(N)c2c(Sc3ccc(cc3)N4CCOCC4)cccc2n1 |
| SMILES | CACTVS | 3.341 | Nc1nc(N)c2c(Sc3ccc(cc3)N4CCOCC4)cccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)Sc3ccc(cc3)N4CCOCC4)c(nc(n2)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)Sc3ccc(cc3)N4CCOCC4)c(nc(n2)N)N |
| InChI | InChI | 1.03 | InChI=1S/C18H19N5OS/c19-17-16-14(21-18(20)22-17)2-1-3-15(16)25-13-6-4-12(5-7-13)23-8-10-24-11-9-23/h1-7H,8-11H2,(H4,19,20,21,22) |
| InChIKey | InChI | 1.03 | CZLWCJRHDBTCGQ-UHFFFAOYSA-N |
