Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc4ccc(c1nc3cc(ccn3c1c2nc(ncc2)N)CN(C)C)cc4 |
InChI | InChI | 1.03 | InChI=1S/C20H19FN6/c1-26(2)12-13-8-10-27-17(11-13)25-18(14-3-5-15(21)6-4-14)19(27)16-7-9-23-20(22)24-16/h3-11H,12H2,1-2H3,(H2,22,23,24) |
InChIKey | InChI | 1.03 | HEPQZLAAWOEYMZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1ccn2c(c1)nc(c3ccc(F)cc3)c2c4ccnc(N)n4 |
SMILES | CACTVS | 3.385 | CN(C)Cc1ccn2c(c1)nc(c3ccc(F)cc3)c2c4ccnc(N)n4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(C)Cc1ccn2c(c1)nc(c2c3ccnc(n3)N)c4ccc(cc4)F |
SMILES | OpenEye OEToolkits | 1.9.2 | CN(C)Cc1ccn2c(c1)nc(c2c3ccnc(n3)N)c4ccc(cc4)F |