| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n3c1c(cc(cc1)N(Cc2cc(OC)ccc2OC)C)c(nc3N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c1 |
| SMILES | CACTVS | 3.341 | COc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(Cc1cc(ccc1OC)OC)c2ccc3c(c2)c(nc(n3)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(Cc1cc(ccc1OC)OC)c2ccc3c(c2)c(nc(n3)N)N |
| InChI | InChI | 1.03 | InChI=1S/C18H21N5O2/c1-23(10-11-8-13(24-2)5-7-16(11)25-3)12-4-6-15-14(9-12)17(19)22-18(20)21-15/h4-9H,10H2,1-3H3,(H4,19,20,21,22) |
| InChIKey | InChI | 1.03 | YBJANOUTWRTBDK-UHFFFAOYSA-N |
