| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c2ncnc(C(=O)NCc1cccnc1)c2)NCc3cccnc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C(NCc1cccnc1)c2cc(ncn2)C(=O)NCc3cccnc3 |
| SMILES | CACTVS | 3.341 | O=C(NCc1cccnc1)c2cc(ncn2)C(=O)NCc3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccnc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccnc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H16N6O2/c25-17(21-10-13-3-1-5-19-8-13)15-7-16(24-12-23-15)18(26)22-11-14-4-2-6-20-9-14/h1-9,12H,10-11H2,(H,21,25)(H,22,26) |
| InChIKey | InChI | 1.03 | NHPBWKYFMTXWAA-UHFFFAOYSA-N |
