Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(F)c(cc(c1)F)C2OCC(CC2N)N3Cc5c(C3)c4n(cccn4)n5 |
InChI | InChI | 1.03 | InChI=1S/C19H19F2N5O/c20-11-2-3-15(21)13(6-11)18-16(22)7-12(10-27-18)25-8-14-17(9-25)24-26-5-1-4-23-19(14)26/h1-6,12,16,18H,7-10,22H2/t12-,16+,18-/m1/s1 |
InChIKey | InChI | 1.03 | CEOQJSZJQDMDFU-PZPSRYQVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1C[C@H](CO[C@@H]1c2cc(F)ccc2F)N3Cc4nn5cccnc5c4C3 |
SMILES | CACTVS | 3.385 | N[CH]1C[CH](CO[CH]1c2cc(F)ccc2F)N3Cc4nn5cccnc5c4C3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cnc2c3c(nn2c1)CN(C3)[C@@H]4C[C@@H]([C@H](OC4)c5cc(ccc5F)F)N |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cnc2c3c(nn2c1)CN(C3)C4CC(C(OC4)c5cc(ccc5F)F)N |