Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1cc(cc(F)c1)CNc3ccc(c2c(nc(nc2CC)N)N)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | CCc1nc(N)nc(N)c1c2ccc(NCc3cc(F)cc(F)c3)cc2 |
SMILES | CACTVS | 3.341 | CCc1nc(N)nc(N)c1c2ccc(NCc3cc(F)cc(F)c3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCc1c(c(nc(n1)N)N)c2ccc(cc2)NCc3cc(cc(c3)F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | CCc1c(c(nc(n1)N)N)c2ccc(cc2)NCc3cc(cc(c3)F)F |
InChI | InChI | 1.03 | InChI=1S/C19H19F2N5/c1-2-16-17(18(22)26-19(23)25-16)12-3-5-15(6-4-12)24-10-11-7-13(20)9-14(21)8-11/h3-9,24H,2,10H2,1H3,(H4,22,23,25,26) |
InChIKey | InChI | 1.03 | SRRWXMSVQYQCRX-UHFFFAOYSA-N |