| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=P(O)(O)CCC1CCN(CC1)c1ncnc2c1cccc2OC |
| InChI | InChI | 1.06 | InChI=1S/C16H22N3O4P/c1-23-14-4-2-3-13-15(14)17-11-18-16(13)19-8-5-12(6-9-19)7-10-24(20,21)22/h2-4,11-12H,5-10H2,1H3,(H2,20,21,22) |
| InChIKey | InChI | 1.06 | IXXUGBPAQOKGTM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc2c(ncnc12)N3CCC(CC3)CC[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | COc1cccc2c(ncnc12)N3CCC(CC3)CC[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1cccc2c1ncnc2N3CCC(CC3)CCP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1cccc2c1ncnc2N3CCC(CC3)CCP(=O)(O)O |
