Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc4ccc(c1ncn(c1c2nc(ncc2)N)CC3CC3)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1nccc(n1)c2n(CC3CC3)cnc2c4ccc(F)cc4 |
SMILES | CACTVS | 3.341 | Nc1nccc(n1)c2n(CC3CC3)cnc2c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccnc(n4)N)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccnc(n4)N)F |
InChI | InChI | 1.03 | InChI=1S/C17H16FN5/c18-13-5-3-12(4-6-13)15-16(14-7-8-20-17(19)22-14)23(10-21-15)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H2,19,20,22) |
InChIKey | InChI | 1.03 | DFEYXQGDDCDXJK-UHFFFAOYSA-N |