Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN(c1cc(nc2cc(nn12)c1nc2ccccc2nc1C)N1CCC(F)C1)C1CCOCC1 |
InChI | InChI | 1.03 | InChI=1S/C25H28FN7O/c1-16-25(28-20-6-4-3-5-19(20)27-16)21-13-23-29-22(32-10-7-17(26)15-32)14-24(33(23)30-21)31(2)18-8-11-34-12-9-18/h3-6,13-14,17-18H,7-12,15H2,1-2H3 |
InChIKey | InChI | 1.03 | XJHYZPHNGDXRJW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C1CCOCC1)c2cc(nc3cc(nn23)c4nc5ccccc5nc4C)N6CC[C@@H](F)C6 |
SMILES | CACTVS | 3.385 | CN(C1CCOCC1)c2cc(nc3cc(nn23)c4nc5ccccc5nc4C)N6CC[CH](F)C6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2ccccc2n1)c3cc4nc(cc(n4n3)N(C)C5CCOCC5)N6CC[C@H](C6)F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2ccccc2n1)c3cc4nc(cc(n4n3)N(C)C5CCOCC5)N6CCC(C6)F |