Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc1ccc(cc1OCCC(C)C)Nc3nc(OCCN2CCOCC2)nc(OC)n3 |
InChI | InChI | 1.03 | InChI=1S/C22H30N6O4/c1-16(2)6-10-31-19-14-18(5-4-17(19)15-23)24-20-25-21(29-3)27-22(26-20)32-13-9-28-7-11-30-12-8-28/h4-5,14,16H,6-13H2,1-3H3,(H,24,25,26,27) |
InChIKey | InChI | 1.03 | VZBHPTCAQDOYJZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1nc(Nc2ccc(C#N)c(OCCC(C)C)c2)nc(OCCN3CCOCC3)n1 |
SMILES | CACTVS | 3.370 | COc1nc(Nc2ccc(C#N)c(OCCC(C)C)c2)nc(OCCN3CCOCC3)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)CCOc1cc(ccc1C#N)Nc2nc(nc(n2)OCCN3CCOCC3)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CCOc1cc(ccc1C#N)Nc2nc(nc(n2)OCCN3CCOCC3)OC |