Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1cc2cn[NH]c2nc1)Nc1cccc2OCCN(C)c21 |
InChI | InChI | 1.06 | InChI=1S/C16H16N6O2/c1-22-5-6-24-13-4-2-3-12(14(13)22)20-16(23)19-11-7-10-8-18-21-15(10)17-9-11/h2-4,7-9H,5-6H2,1H3,(H,17,18,21)(H2,19,20,23) |
InChIKey | InChI | 1.06 | WLZQKSBJGIMOOB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCOc2cccc(NC(=O)Nc3cnc4[nH]ncc4c3)c12 |
SMILES | CACTVS | 3.385 | CN1CCOc2cccc(NC(=O)Nc3cnc4[nH]ncc4c3)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCOc2c1c(ccc2)NC(=O)Nc3cc4cn[nH]c4nc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCOc2c1c(ccc2)NC(=O)Nc3cc4cn[nH]c4nc3 |