Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cccc(c1)CCCNCCc2nc(ncc2)n3c(cnc3)C |
InChI | InChI | 1.03 | InChI=1S/C19H22FN5/c1-15-13-22-14-25(15)19-23-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3 |
InChIKey | InChI | 1.03 | XNNXUOKGLOGLRV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cncn1c2nccc(CCNCCCc3cccc(F)c3)n2 |
SMILES | CACTVS | 3.385 | Cc1cncn1c2nccc(CCNCCCc3cccc(F)c3)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cncn1c2nccc(n2)CCNCCCc3cccc(c3)F |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cncn1c2nccc(n2)CCNCCCc3cccc(c3)F |