| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCC(=O)Nc2cc1c(nc(n1)N)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1[nH]c2cc(NC(=O)CCCC(O)=O)ccc2n1 |
| SMILES | CACTVS | 3.341 | Nc1[nH]c2cc(NC(=O)CCCC(O)=O)ccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N |
| InChI | InChI | 1.03 | InChI=1S/C12H14N4O3/c13-12-15-8-5-4-7(6-9(8)16-12)14-10(17)2-1-3-11(18)19/h4-6H,1-3H2,(H,14,17)(H,18,19)(H3,13,15,16) |
| InChIKey | InChI | 1.03 | KYOKAWLLGVBQKM-UHFFFAOYSA-N |
