| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12cccc(c1nc(nc2)Nc4ccc3c(ncn3)c4)OC5CCC(CC5)O |
| InChI | InChI | 1.03 | InChI=1S/C21H21N5O2/c27-15-5-7-16(8-6-15)28-19-3-1-2-13-11-22-21(26-20(13)19)25-14-4-9-17-18(10-14)24-12-23-17/h1-4,9-12,15-16,27H,5-8H2,(H,23,24)(H,22,25,26)/t15-,16+ |
| InChIKey | InChI | 1.03 | FYWRWBSYRGSWIQ-IYBDPMFKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CC[C@H](CC1)Oc2cccc3cnc(Nc4ccc5[nH]cnc5c4)nc23 |
| SMILES | CACTVS | 3.385 | O[CH]1CC[CH](CC1)Oc2cccc3cnc(Nc4ccc5[nH]cnc5c4)nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2cnc(nc2c(c1)OC3CCC(CC3)O)Nc4ccc5c(c4)nc[nH]5 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2cnc(nc2c(c1)OC3CCC(CC3)O)Nc4ccc5c(c4)nc[nH]5 |
