Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC1CN(C1)C(=O)C1CCN(CC1)c1cncnc1c1ccc(F)cc1 |
InChI | InChI | 1.03 | InChI=1S/C19H20F2N4O/c20-15-3-1-13(2-4-15)18-17(9-22-12-23-18)24-7-5-14(6-8-24)19(26)25-10-16(21)11-25/h1-4,9,12,14,16H,5-8,10-11H2 |
InChIKey | InChI | 1.03 | UTHXOPCOQREWLE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC1CN(C1)C(=O)C2CCN(CC2)c3cncnc3c4ccc(F)cc4 |
SMILES | CACTVS | 3.385 | FC1CN(C1)C(=O)C2CCN(CC2)c3cncnc3c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(cncn2)N3CCC(CC3)C(=O)N4CC(C4)F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(cncn2)N3CCC(CC3)C(=O)N4CC(C4)F)F |