Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc3c(Nc2c(nnc(NC(C1CC1)=O)c2)C(NC)=O)cccc3c4ncccn4 |
InChI | InChI | 1.03 | InChI=1S/C21H21N7O3/c1-22-21(30)17-15(11-16(27-28-17)26-20(29)12-7-8-12)25-14-6-3-5-13(18(14)31-2)19-23-9-4-10-24-19/h3-6,9-12H,7-8H2,1-2H3,(H,22,30)(H2,25,26,27,29) |
InChIKey | InChI | 1.03 | XPHMHCUYKWFASJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc3cccc(c3OC)c4ncccn4 |
SMILES | CACTVS | 3.385 | CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc3cccc(c3OC)c4ncccn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncccn4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncccn4 |