Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N#C\C(=C\Nc2ccc(Nc1ccccc1)cc2)c3nnnn3 |
SMILES_CANONICAL | CACTVS | 3.341 | N#C/C(=C/Nc1ccc(Nc2ccccc2)cc1)c3n[nH]nn3 |
SMILES | CACTVS | 3.341 | N#CC(=CNc1ccc(Nc2ccccc2)cc1)c3n[nH]nn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Nc2ccc(cc2)N\C=C(\C#N)/c3n[nH]nn3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Nc2ccc(cc2)NC=C(C#N)c3n[nH]nn3 |
InChI | InChI | 1.03 | InChI=1S/C16H13N7/c17-10-12(16-20-22-23-21-16)11-18-13-6-8-15(9-7-13)19-14-4-2-1-3-5-14/h1-9,11,18-19H,(H,20,21,22,23)/b12-11- |
InChIKey | InChI | 1.03 | FLPLCJJGNZGOAW-QXMHVHEDSA-N |