Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | NC(N)c1sc2cccc(O[C@@H](c3onc(n3)c4ccccc4)c5ccccc5)c2c1 |
SMILES | CACTVS | 3.352 | NC(N)c1sc2cccc(O[CH](c3onc(n3)c4ccccc4)c5ccccc5)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2nc(on2)[C@@H](c3ccccc3)Oc4cccc5c4cc(s5)C(N)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2nc(on2)C(c3ccccc3)Oc4cccc5c4cc(s5)C(N)N |
InChI | InChI | 1.03 | InChI=1S/C24H20N4O2S/c25-22(26)20-14-17-18(12-7-13-19(17)31-20)29-21(15-8-3-1-4-9-15)24-27-23(28-30-24)16-10-5-2-6-11-16/h1-14,21-22H,25-26H2/t21-/m1/s1 |
InChIKey | InChI | 1.03 | VBSNODZWDZSFEZ-OAQYLSRUSA-N |