| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c2c(nc1N)scc2CCc3cc(OC)ccc3OC)N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(OC)c(CCc2csc3nc(N)nc(N)c23)c1 |
| SMILES | CACTVS | 3.370 | COc1ccc(OC)c(CCc2csc3nc(N)nc(N)c23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc(c(c1)CCc2csc3c2c(nc(n3)N)N)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc(c(c1)CCc2csc3c2c(nc(n3)N)N)OC |
| InChI | InChI | 1.03 | InChI=1S/C16H18N4O2S/c1-21-11-5-6-12(22-2)9(7-11)3-4-10-8-23-15-13(10)14(17)19-16(18)20-15/h5-8H,3-4H2,1-2H3,(H4,17,18,19,20) |
| InChIKey | InChI | 1.03 | XJFDLPAAAIBWID-UHFFFAOYSA-N |
