| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)CCN(CCCN)CCn1c2N=C(NC(=O)c2nc1)N |
| InChI | InChI | 1.03 | InChI=1S/C12H22N7O4P/c13-2-1-3-18(6-7-24(21,22)23)4-5-19-8-15-9-10(19)16-12(14)17-11(9)20/h8H,1-7,13H2,(H2,21,22,23)(H3,14,16,17,20) |
| InChIKey | InChI | 1.03 | JXSWXCFQTAYPAJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCN(CCn1cnc2C(=O)NC(=Nc12)N)CC[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | NCCCN(CCn1cnc2C(=O)NC(=Nc12)N)CC[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1nc2c(n1CCN(CCCN)CCP(=O)(O)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1nc2c(n1CCN(CCCN)CCP(=O)(O)O)N=C(NC2=O)N |
