| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c13c(ncnc1N2CCCC(CCC(O)=O)C2)ncc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H18N4O2/c19-12(20)4-3-10-2-1-7-18(8-10)14-11-5-6-15-13(11)16-9-17-14/h5-6,9-10H,1-4,7-8H2,(H,19,20)(H,15,16,17)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | ADFCTPSWZLLXQI-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CC[C@@H]1CCCN(C1)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | OC(=O)CC[CH]1CCCN(C1)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)N3CCCC(C3)CCC(=O)O |
