Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(c1ccccc1)c5ccc(c2cn(c3ncnc(N)c23)C4CCOCC4)cc5 |
InChI | InChI | 1.03 | InChI=1S/C23H22N4O2/c24-22-21-20(14-27(23(21)26-15-25-22)17-10-12-28-13-11-17)16-6-8-19(9-7-16)29-18-4-2-1-3-5-18/h1-9,14-15,17H,10-13H2,(H2,24,25,26) |
InChIKey | InChI | 1.03 | BCWVVERKADMJGG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncnc2n(cc(c3ccc(Oc4ccccc4)cc3)c12)C5CCOCC5 |
SMILES | CACTVS | 3.370 | Nc1ncnc2n(cc(c3ccc(Oc4ccccc4)cc3)c12)C5CCOCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCOCC5 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCOCC5 |