Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c1c(cc(OCCOC)c(OCCOC)c1)c(nc2)Nc3cc(C#C)ccc3 |
InChI | InChI | 1.03 | InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) |
InChIKey | InChI | 1.03 | AAKJLRGGTJKAMG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC |
SMILES | CACTVS | 3.370 | COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C |
SMILES | OpenEye OEToolkits | 1.7.6 | COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C |