Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)(C)c1ccc(cc1)CNc1nc2NC(CN3CCOCC3)=CC(=O)n2n1 |
InChI | InChI | 1.03 | InChI=1S/C21H28N6O2/c1-21(2,3)16-6-4-15(5-7-16)13-22-19-24-20-23-17(12-18(28)27(20)25-19)14-26-8-10-29-11-9-26/h4-7,12H,8-11,13-14H2,1-3H3,(H2,22,23,24,25) |
InChIKey | InChI | 1.03 | RPOXTKKWAOVEIJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccc(CNc2nn3C(=O)C=C(CN4CCOCC4)Nc3n2)cc1 |
SMILES | CACTVS | 3.385 | CC(C)(C)c1ccc(CNc2nn3C(=O)C=C(CN4CCOCC4)Nc3n2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)CNc2nc3n(n2)C(=O)C=C(N3)CN4CCOCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)CNc2nc3n(n2)C(=O)C=C(N3)CN4CCOCC4 |