Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1cc(c4c1ncnc4c3cc2N(/C=N)CC(F)(F)Oc2cc3)CCOC |
InChI | InChI | 1.03 | InChI=1S/C18H17F2N5O2/c1-26-5-4-12-7-22-17-15(12)16(23-10-24-17)11-2-3-14-13(6-11)25(9-21)8-18(19,20)27-14/h2-3,6-7,9-10,21H,4-5,8H2,1H3,(H,22,23,24)/b21-9- |
InChIKey | InChI | 1.03 | YVXZGNOOOFSANU-NKVSQWTQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCCc1c[nH]c2ncnc(c3ccc4OC(F)(F)CN(C=N)c4c3)c12 |
SMILES | CACTVS | 3.385 | COCCc1c[nH]c2ncnc(c3ccc4OC(F)(F)CN(C=N)c4c3)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C\N1CC(Oc2c1cc(cc2)c3c4c(c[nH]c4ncn3)CCOC)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | COCCc1c[nH]c2c1c(ncn2)c3ccc4c(c3)N(CC(O4)(F)F)C=N |