| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1cnc(c2cc(OC)c(OC)cc12)N5CCC(Oc3nc4c(nc3)cccc4)C5 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cc2ncnc(N3CC[C@H](C3)Oc4cnc5ccccc5n4)c2cc1OC |
| SMILES | CACTVS | 3.341 | COc1cc2ncnc(N3CC[CH](C3)Oc4cnc5ccccc5n4)c2cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc2c(cc1OC)ncnc2N3CC[C@H](C3)Oc4cnc5ccccc5n4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc2c(cc1OC)ncnc2N3CCC(C3)Oc4cnc5ccccc5n4 |
| InChI | InChI | 1.03 | InChI=1S/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | UBIIFKJMNRPNMT-CQSZACIVSA-N |
