Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1cnc(nc1c3cccnc3Nc2ccccc2)Nc4cc(OC)c(OC)c(OC)c4 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(Nc2ncnc(n2)c3cccnc3Nc4ccccc4)cc(OC)c1OC |
SMILES | CACTVS | 3.341 | COc1cc(Nc2ncnc(n2)c3cccnc3Nc4ccccc4)cc(OC)c1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc(cc(c1OC)OC)Nc2ncnc(n2)c3cccnc3Nc4ccccc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(cc(c1OC)OC)Nc2ncnc(n2)c3cccnc3Nc4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C23H22N6O3/c1-30-18-12-16(13-19(31-2)20(18)32-3)28-23-26-14-25-22(29-23)17-10-7-11-24-21(17)27-15-8-5-4-6-9-15/h4-14H,1-3H3,(H,24,27)(H,25,26,28,29) |
InChIKey | InChI | 1.03 | YRSYWYSGZPRSOP-UHFFFAOYSA-N |