Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCc1ccccc1OCC1(COc2c(N)nc(N)nc2CC)COC1 |
InChI | InChI | 1.03 | InChI=1S/C20H26N4O5/c1-2-14-17(18(21)24-19(22)23-14)29-12-20(9-27-10-20)11-28-15-6-4-3-5-13(15)7-8-16(25)26/h3-6H,2,7-12H2,1H3,(H,25,26)(H4,21,22,23,24) |
InChIKey | InChI | 1.03 | RCIRFPIVZRLWFR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1nc(N)nc(N)c1OCC2(COC2)COc3ccccc3CCC(O)=O |
SMILES | CACTVS | 3.385 | CCc1nc(N)nc(N)c1OCC2(COC2)COc3ccccc3CCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)OCC2(COC2)COc3ccccc3CCC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)OCC2(COC2)COc3ccccc3CCC(=O)O |