| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C3C(O)=CN=C(c2ccc(c1nnnn1)cc2)N3 |
| InChI | InChI | 1.03 | InChI=1S/C11H8N6O2/c18-8-5-12-9(13-11(8)19)6-1-3-7(4-2-6)10-14-16-17-15-10/h1-5,18H,(H,12,13,19)(H,14,15,16,17) |
| InChIKey | InChI | 1.03 | PZUKKDSOBAHLMG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=CN=C(NC1=O)c2ccc(cc2)c3[nH]nnn3 |
| SMILES | CACTVS | 3.385 | OC1=CN=C(NC1=O)c2ccc(cc2)c3[nH]nnn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1c2[nH]nnn2)C3=NC=C(C(=O)N3)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1c2[nH]nnn2)C3=NC=C(C(=O)N3)O |
