Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4(c1cnccc1)ncc(C(Nc2c(cc(cc2)N3CCOCC3)OC)=O)s4 |
InChI | InChI | 1.03 | InChI=1S/C20H20N4O3S/c1-26-17-11-15(24-7-9-27-10-8-24)4-5-16(17)23-19(25)18-13-22-20(28-18)14-3-2-6-21-12-14/h2-6,11-13H,7-10H2,1H3,(H,23,25) |
InChIKey | InChI | 1.03 | SAACSZSWNHZEBE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1NC(=O)c2sc(nc2)c3cccnc3)N4CCOCC4 |
SMILES | CACTVS | 3.385 | COc1cc(ccc1NC(=O)c2sc(nc2)c3cccnc3)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1NC(=O)c2cnc(s2)c3cccnc3)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1NC(=O)c2cnc(s2)c3cccnc3)N4CCOCC4 |