Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c2cc(/N=N/C=1C(=[N@H])N=NC=1N)ccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=C(N=Nc2cccc(c2)C(O)=O)C(=N)N=N1 |
SMILES | CACTVS | 3.341 | NC1=C(N=Nc2cccc(c2)C(O)=O)C(=N)N=N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C\1/C(=C(N=N1)N)/N=N/c2cccc(c2)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C1C(=C(N=N1)N)N=Nc2cccc(c2)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H8N6O2/c11-8-7(9(12)16-15-8)14-13-6-3-1-2-5(4-6)10(17)18/h1-4,11H,12H2,(H,17,18)/b11-8-,14-13+ |
InChIKey | InChI | 1.03 | PIUSHRUXZPMNPD-KBABRGLLSA-N |