Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C21H19ClN4O/c1-13-4-6-16(10-14(13)2)26-9-8-17-20(23-12-24-21(17)26)25-15-5-7-19(27-3)18(22)11-15/h4-12H,1-3H3,(H,23,24,25) |
InChIKey | InChI | 1.06 | DZIHITUUUPJMOQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Nc2ncnc3n(ccc23)c4ccc(C)c(C)c4)cc1Cl |
SMILES | CACTVS | 3.385 | COc1ccc(Nc2ncnc3n(ccc23)c4ccc(C)c(C)c4)cc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C)n2ccc3c2ncnc3Nc4ccc(c(c4)Cl)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C)n2ccc3c2ncnc3Nc4ccc(c(c4)Cl)OC |