Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c5c(cc(c1)Nc2nc(ncc2)Nc4cc(OC)c(N3CCOCC3)cc4)cccc5 |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1N5CCOCC5 |
SMILES | CACTVS | 3.370 | COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1N5CCOCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc(ccc1N2CCOCC2)Nc3nccc(n3)Nc4cc5ccccc5nc4 |
SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc(ccc1N2CCOCC2)Nc3nccc(n3)Nc4cc5ccccc5nc4 |
InChI | InChI | 1.03 | InChI=1S/C24H24N6O2/c1-31-22-15-18(6-7-21(22)30-10-12-32-13-11-30)28-24-25-9-8-23(29-24)27-19-14-17-4-2-3-5-20(17)26-16-19/h2-9,14-16H,10-13H2,1H3,(H2,25,27,28,29) |
InChIKey | InChI | 1.03 | LNEPMZDEABTAPY-UHFFFAOYSA-N |