| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C2(Cc1cccnc1C2)P(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | O[P](O)(=O)C1(Cc2cccnc2C1)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | O[P](O)(=O)C1(Cc2cccnc2C1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc2c(nc1)CC(C2)(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc2c(nc1)CC(C2)(P(=O)(O)O)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO6P2/c10-16(11,12)8(17(13,14)15)4-6-2-1-3-9-7(6)5-8/h1-3H,4-5H2,(H2,10,11,12)(H2,13,14,15) |
| InChIKey | InChI | 1.03 | BKUBDCZNHKIXPI-UHFFFAOYSA-N |
