Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N(CC)C)Nc1ccc(F)c(c1F)C(=O)c3c2cc(cnc2nc3)c4cnc(nc4)C5CC5 |
InChI | InChI | 1.03 | InChI=1S/C24H22F2N6O3S/c1-3-32(2)36(34,35)31-19-7-6-18(25)20(21(19)26)22(33)17-12-30-24-16(17)8-14(9-29-24)15-10-27-23(28-11-15)13-4-5-13/h6-13,31H,3-5H2,1-2H3,(H,29,30) |
InChIKey | InChI | 1.03 | DKNZQPXIIHLUHU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCN(C)[S](=O)(=O)Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(cc23)c4cnc(nc4)C5CC5 |
SMILES | CACTVS | 3.370 | CCN(C)[S](=O)(=O)Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(cc23)c4cnc(nc4)C5CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN(C)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cnc(nc4)C5CC5)F |
SMILES | OpenEye OEToolkits | 1.7.6 | CCN(C)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cnc(nc4)C5CC5)F |