Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S1(=O)CC(CNc2ncnc3[NH]c4cc(F)ccc4c23)C1 |
InChI | InChI | 1.06 | InChI=1S/C14H13FN4O2S/c15-9-1-2-10-11(3-9)19-14-12(10)13(17-7-18-14)16-4-8-5-22(20,21)6-8/h1-3,7-8H,4-6H2,(H2,16,17,18,19) |
InChIKey | InChI | 1.06 | JVQPJNYREDESAV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2c([nH]c3ncnc(NCC4C[S](=O)(=O)C4)c23)c1 |
SMILES | CACTVS | 3.385 | Fc1ccc2c([nH]c3ncnc(NCC4C[S](=O)(=O)C4)c23)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)[nH]c3c2c(ncn3)NCC4CS(=O)(=O)C4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)[nH]c3c2c(ncn3)NCC4CS(=O)(=O)C4 |