| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1=NC(CN2CCCCC2)CS1)c1nc(cnc1Nc1cncnc1)C1CC1 |
| InChI | InChI | 1.03 | InChI=1S/C21H26N8OS/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/h8-10,13-14,16H,1-7,11-12H2,(H,24,25)(H,26,28,30)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | RVFOVHQBLJSLSX-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NC1=N[C@H](CS1)CN2CCCCC2)c3nc(cnc3Nc4cncnc4)C5CC5 |
| SMILES | CACTVS | 3.385 | O=C(NC1=N[CH](CS1)CN2CCCCC2)c3nc(cnc3Nc4cncnc4)C5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cncn1)Nc2c(nc(cn2)C3CC3)C(=O)NC4=NC(CS4)CN5CCCCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cncn1)Nc2c(nc(cn2)C3CC3)C(=O)NC4=NC(CS4)CN5CCCCC5 |
