Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)CN3c2ncnc2C(=O)NC3=S |
InChI | InChI | 1.03 | InChI=1S/C12H9FN4OS/c13-8-3-1-7(2-4-8)5-17-10-9(14-6-15-10)11(18)16-12(17)19/h1-4,6H,5H2,(H,14,15)(H,16,18,19) |
InChIKey | InChI | 1.03 | GMNQNGTVFNOHLD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(CN2C(=S)NC(=O)c3[nH]cnc23)cc1 |
SMILES | CACTVS | 3.385 | Fc1ccc(CN2C(=S)NC(=O)c3[nH]cnc23)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CN2c3c([nH]cn3)C(=O)NC2=S)F |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CN2c3c([nH]cn3)C(=O)NC2=S)F |