| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2ccnc(c1nccc(C(=O)NCCN)c1)c2 |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCNC(=O)c1ccnc(c1)c2cc(ccn2)C(O)=O |
| SMILES | CACTVS | 3.370 | NCCNC(=O)c1ccnc(c1)c2cc(ccn2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cnc(cc1C(=O)NCCN)c2cc(ccn2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cnc(cc1C(=O)NCCN)c2cc(ccn2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H14N4O3/c15-3-6-18-13(19)9-1-4-16-11(7-9)12-8-10(14(20)21)2-5-17-12/h1-2,4-5,7-8H,3,6,15H2,(H,18,19)(H,20,21) |
| InChIKey | InChI | 1.03 | RTGDPYNAIULBPL-UHFFFAOYSA-N |
