Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(COc2cnc(COc3nc(cnc3N)c4cnn(C)c4)cc2OC)cc1 |
SMILES | CACTVS | 3.352 | COc1ccc(COc2cnc(COc3nc(cnc3N)c4cnn(C)c4)cc2OC)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cn1cc(cn1)c2cnc(c(n2)OCc3cc(c(cn3)OCc4ccc(cc4)OC)OC)N |
SMILES | OpenEye OEToolkits | 1.7.0 | Cn1cc(cn1)c2cnc(c(n2)OCc3cc(c(cn3)OCc4ccc(cc4)OC)OC)N |
InChI | InChI | 1.03 | InChI=1S/C23H24N6O4/c1-29-12-16(9-27-29)19-10-26-22(24)23(28-19)33-14-17-8-20(31-3)21(11-25-17)32-13-15-4-6-18(30-2)7-5-15/h4-12H,13-14H2,1-3H3,(H2,24,26) |
InChIKey | InChI | 1.03 | FYNJLBSSIPLISK-UHFFFAOYSA-N |