Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CC2(C1)COC2)c1cc2ncn(Cc3ccc(OCc4ccc(OC)nc4)c(OC)c3)c2nc1 |
InChI | InChI | 1.06 | InChI=1S/C27H27N5O5/c1-34-23-7-18(3-5-22(23)37-12-19-4-6-24(35-2)28-9-19)11-31-17-30-21-8-20(10-29-25(21)31)26(33)32-13-27(14-32)15-36-16-27/h3-10,17H,11-16H2,1-2H3 |
InChIKey | InChI | 1.06 | GGMUAMIMZXIUOT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)C(=O)N5CC6(COC6)C5)cc2OC)cn1 |
SMILES | CACTVS | 3.385 | COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)C(=O)N5CC6(COC6)C5)cc2OC)cn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ncc(c4)C(=O)N5CC6(C5)COC6 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ncc(c4)C(=O)N5CC6(C5)COC6 |