Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCc1c(c(N)nc(n1)N)OCC2CN(C2)c3c(cccc3)N4CCC(CC4)C(O)=O |
InChI | InChI | 1.03 | InChI=1S/C22H30N6O3/c1-2-16-19(20(23)26-22(24)25-16)31-13-14-11-28(12-14)18-6-4-3-5-17(18)27-9-7-15(8-10-27)21(29)30/h3-6,14-15H,2,7-13H2,1H3,(H,29,30)(H4,23,24,25,26) |
InChIKey | InChI | 1.03 | HUNFOZYRLCOIAK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1nc(N)nc(N)c1OC[C@H]2CN(C2)c3ccccc3N4CC[C@@H](CC4)C(O)=O |
SMILES | CACTVS | 3.385 | CCc1nc(N)nc(N)c1OC[CH]2CN(C2)c3ccccc3N4CC[CH](CC4)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)OCC2CN(C2)c3ccccc3N4CCC(CC4)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)OCC2CN(C2)c3ccccc3N4CCC(CC4)C(=O)O |