| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C4N(C(=[N@H])NC5(c2scc(c1cc(C#N)ccc1)c2)CN(c3nc(OC)ccc3)CC45)C |
| InChI | InChI | 1.03 | InChI=1S/C24H22N6O2S/c1-29-22(31)18-12-30(20-7-4-8-21(27-20)32-2)14-24(18,28-23(29)26)19-10-17(13-33-19)16-6-3-5-15(9-16)11-25/h3-10,13,18H,12,14H2,1-2H3,(H2,26,28)/t18-,24-/m0/s1 |
| InChIKey | InChI | 1.03 | DHDYCYIAHXOSEU-UUOWRZLLSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cccc(n1)N2C[C@H]3C(=O)N(C)C(=N)N[C@]3(C2)c4scc(c4)c5cccc(c5)C#N |
| SMILES | CACTVS | 3.370 | COc1cccc(n1)N2C[CH]3C(=O)N(C)C(=N)N[C]3(C2)c4scc(c4)c5cccc(c5)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3cccc(n3)OC)c4cc(cs4)c5cccc(c5)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1C(=O)C2CN(CC2(NC1=N)c3cc(cs3)c4cccc(c4)C#N)c5cccc(n5)OC |
