Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H20FN5O2S/c1-12(2)7-10-25-18(27)16-17(22-9-8-21-16)24-19(25)28-11-15(26)23-14-6-4-3-5-13(14)20/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,23,26) |
InChIKey | InChI | 1.06 | SNKVFQSPLUKPPE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCN1C(=O)c2nccnc2N=C1SCC(=O)Nc3ccccc3F |
SMILES | CACTVS | 3.385 | CC(C)CCN1C(=O)c2nccnc2N=C1SCC(=O)Nc3ccccc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CCN1C(=O)c2c(nccn2)N=C1SCC(=O)Nc3ccccc3F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CCN1C(=O)c2c(nccn2)N=C1SCC(=O)Nc3ccccc3F |