Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCOCC1)c2cc(ccc2)Nc3ncc(C#N)c(n3)c4sc(nc4C)NC |
InChI | InChI | 1.03 | InChI=1S/C21H21N7O2S/c1-13-18(31-21(23-2)25-13)17-15(11-22)12-24-20(27-17)26-16-5-3-4-14(10-16)19(29)28-6-8-30-9-7-28/h3-5,10,12H,6-9H2,1-2H3,(H,23,25)(H,24,26,27) |
InChIKey | InChI | 1.03 | UFUGKBGESCNADR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CNc1sc(c(C)n1)c2nc(Nc3cccc(c3)C(=O)N4CCOCC4)ncc2C#N |
SMILES | CACTVS | 3.370 | CNc1sc(c(C)n1)c2nc(Nc3cccc(c3)C(=O)N4CCOCC4)ncc2C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)C(=O)N4CCOCC4)C#N |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)C(=O)N4CCOCC4)C#N |