| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(c1cc(cc(OC)c1OC)NCc2c(c3c(cc2)[nH+]c(nc3N)N)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(NCc2ccc3[nH+]c(N)nc(N)c3c2C)cc(OC)c1OC |
| SMILES | CACTVS | 3.341 | COc1cc(NCc2ccc3[nH+]c(N)nc(N)c3c2C)cc(OC)c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC |
| InChI | InChI | 1.03 | InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)/p+1 |
| InChIKey | InChI | 1.03 | NOYPYLRCIDNJJB-UHFFFAOYSA-O |
