Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(NC)c1ccc(cc1)Nc2nccc(n2)c3cnc(n3C4CC4)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc(C)n3C4CC4)cc1 |
SMILES | CACTVS | 3.341 | CN[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc(C)n3C4CC4)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ncc(n1C2CC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)NC |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ncc(n1C2CC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)NC |
InChI | InChI | 1.03 | InChI=1S/C18H20N6O2S/c1-12-21-11-17(24(12)14-5-6-14)16-9-10-20-18(23-16)22-13-3-7-15(8-4-13)27(25,26)19-2/h3-4,7-11,14,19H,5-6H2,1-2H3,(H,20,22,23) |
InChIKey | InChI | 1.03 | MZWCVBFANHIPTJ-UHFFFAOYSA-N |