| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1cc(cc2c1nc(nc2N)N)N(Cc3cc(OC)c(OC)c(OC)c3)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC |
| SMILES | CACTVS | 3.341 | COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(Cc1cc(c(c(c1)OC)OC)OC)c2cc3c(nc(nc3nc2)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(Cc1cc(c(c(c1)OC)OC)OC)c2cc3c(nc(nc3nc2)N)N |
| InChI | InChI | 1.03 | InChI=1S/C18H22N6O3/c1-24(9-10-5-13(25-2)15(27-4)14(6-10)26-3)11-7-12-16(19)22-18(20)23-17(12)21-8-11/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23) |
| InChIKey | InChI | 1.03 | PUOZHLHNKHRTOW-UHFFFAOYSA-N |
