| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OCC)(OCC)COc1ccc(cc1)CCc4cnc3N(c2ncccc2N(C(=O)c3c4)C)CC |
| InChI | InChI | 1.03 | InChI=1S/C27H33N4O5P/c1-5-31-25-23(27(32)30(4)24-9-8-16-28-26(24)31)17-21(18-29-25)11-10-20-12-14-22(15-13-20)34-19-37(33,35-6-2)36-7-3/h8-9,12-18H,5-7,10-11,19H2,1-4H3 |
| InChIKey | InChI | 1.03 | YVBXNGRTCURFDW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCO[P](=O)(COc1ccc(CCc2cnc3N(CC)c4ncccc4N(C)C(=O)c3c2)cc1)OCC |
| SMILES | CACTVS | 3.370 | CCO[P](=O)(COc1ccc(CCc2cnc3N(CC)c4ncccc4N(C)C(=O)c3c2)cc1)OCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCc4ccc(cc4)OCP(=O)(OCC)OCC)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCc4ccc(cc4)OCP(=O)(OCC)OCC)C |
