| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCCCNc1ncnc2ncnc12 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCCNc1ncnc2nc[nH]c12)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCCNc1ncnc2nc[nH]c12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)ncnc2NCCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)ncnc2NCCCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H16N6O2/c12-7(11(18)19)3-1-2-4-13-9-8-10(15-5-14-8)17-6-16-9/h5-7H,1-4,12H2,(H,18,19)(H2,13,14,15,16,17)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | YILGCMSDZVYLCZ-ZETCQYMHSA-N |
