Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(N\N=C\c1ccc(C(=[N@H])N)cc1)c2cccnc2 |
SMILES_CANONICAL | CACTVS | 3.352 | NC(=N)c1ccc(cc1)/C=N/NC(=O)c2cccnc2 |
SMILES | CACTVS | 3.352 | NC(=N)c1ccc(cc1)C=NNC(=O)c2cccnc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/c1ccc(cc1)/C=N/NC(=O)c2cccnc2)\N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cnc1)C(=O)NN=Cc2ccc(cc2)C(=N)N |
InChI | InChI | 1.03 | InChI=1S/C14H13N5O/c15-13(16)11-5-3-10(4-6-11)8-18-19-14(20)12-2-1-7-17-9-12/h1-9H,(H3,15,16)(H,19,20)/b18-8+ |
InChIKey | InChI | 1.03 | DDBLYJHCQJAIJN-QGMBQPNBSA-N |