Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(C(=O)NC)cccc1Nc3nc(n(C(c2c(cccc2OC)F)=O)n3)N |
InChI | InChI | 1.03 | InChI=1S/C18H17FN6O3/c1-21-15(26)10-5-3-6-11(9-10)22-18-23-17(20)25(24-18)16(27)14-12(19)7-4-8-13(14)28-2/h3-9H,1-2H3,(H,21,26)(H3,20,22,23,24) |
InChIKey | InChI | 1.03 | IKMWNWITXAECMQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cccc(Nc2nn(c(N)n2)C(=O)c3c(F)cccc3OC)c1 |
SMILES | CACTVS | 3.385 | CNC(=O)c1cccc(Nc2nn(c(N)n2)C(=O)c3c(F)cccc3OC)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)OC)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)OC)N |