Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc4ccc(OC=2C(=O)N(c1nc(ncc1C=2)NC(Cn3ncnn3)C)C)c(F)c4 |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](Cn1ncnn1)Nc2ncc3C=C(Oc4ccc(F)cc4F)C(=O)N(C)c3n2 |
SMILES | CACTVS | 3.341 | C[CH](Cn1ncnn1)Nc2ncc3C=C(Oc4ccc(F)cc4F)C(=O)N(C)c3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C |
InChI | InChI | 1.03 | InChI=1S/C18H16F2N8O2/c1-10(8-28-23-9-22-26-28)24-18-21-7-11-5-15(17(29)27(2)16(11)25-18)30-14-4-3-12(19)6-13(14)20/h3-7,9-10H,8H2,1-2H3,(H,21,24,25)/t10-/m1/s1 |
InChIKey | InChI | 1.03 | WIGNNIARPGHXFO-SNVBAGLBSA-N |