Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Oc1ccc(cc1)NC(=N)N)c1ccc(NC(=N)N)cc1 |
InChI | InChI | 1.06 | InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21) |
InChIKey | InChI | 1.06 | JXJBQAMLLCEHTI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 |
SMILES | CACTVS | 3.385 | NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/Nc1ccc(cc1)C(=O)Oc2ccc(cc2)N/C(=N\[H])/N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)Oc2ccc(cc2)NC(=N)N)NC(=N)N |