Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n5c(Nc1c(cc(cc1)C(N2CCOCC2)=O)F)c4ncc(c3cnnc3)n4cc5C |
InChI | InChI | 1.03 | InChI=1S/C21H20FN7O2/c1-13-12-29-18(15-9-24-25-10-15)11-23-20(29)19(26-13)27-17-3-2-14(8-16(17)22)21(30)28-4-6-31-7-5-28/h2-3,8-12H,4-7H2,1H3,(H,24,25)(H,26,27) |
InChIKey | InChI | 1.03 | FVUJKLFPRPTFJK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cn2c(cnc2c(Nc3ccc(cc3F)C(=O)N4CCOCC4)n1)c5c[nH]nc5 |
SMILES | CACTVS | 3.385 | Cc1cn2c(cnc2c(Nc3ccc(cc3F)C(=O)N4CCOCC4)n1)c5c[nH]nc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cn2c(cnc2c(n1)Nc3ccc(cc3F)C(=O)N4CCOCC4)c5c[nH]nc5 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cn2c(cnc2c(n1)Nc3ccc(cc3F)C(=O)N4CCOCC4)c5c[nH]nc5 |