| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)C(C)C3N=C(c1c(ccc(OC)c1)n2c(nnc23)C)c4ccc(Cl)cc4 |
| InChI | InChI | 1.03 | InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1 |
| InChIKey | InChI | 1.03 | FENXDXHDXYVGRJ-BLVKFPJESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](C)[CH]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1nnc2n1-c3ccc(cc3C(=NC2C(C)C(=O)OC)c4ccc(cc4)Cl)OC |
