| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1nc(CN2CCCCC2)cs1)c1nc(cnc1Nc1cncnc1)C1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C21H24N8OS/c30-20(28-21-26-16(12-31-21)11-29-6-2-1-3-7-29)18-19(25-15-8-22-13-23-9-15)24-10-17(27-18)14-4-5-14/h8-10,12-14H,1-7,11H2,(H,24,25)(H,26,28,30) |
| InChIKey | InChI | 1.06 | BRLFKTQYEQTFIT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1scc(CN2CCCCC2)n1)c3nc(cnc3Nc4cncnc4)C5CC5 |
| SMILES | CACTVS | 3.385 | O=C(Nc1scc(CN2CCCCC2)n1)c3nc(cnc3Nc4cncnc4)C5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c(cncn1)Nc2c(nc(cn2)C3CC3)C(=O)Nc4nc(cs4)CN5CCCCC5 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c(cncn1)Nc2c(nc(cn2)C3CC3)C(=O)Nc4nc(cs4)CN5CCCCC5 |
