Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1ccc(c2c1c(cc(n2)NC(=O)C)Cn3cncc3)O |
InChI | InChI | 1.03 | InChI=1S/C15H14N4O2/c1-10(20)17-14-7-11(8-19-6-5-16-9-19)12-3-2-4-13(21)15(12)18-14/h2-7,9,21H,8H2,1H3,(H,17,18,20) |
InChIKey | InChI | 1.03 | IZQWAALUGBLUAZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cc(Cn2ccnc2)c3cccc(O)c3n1 |
SMILES | CACTVS | 3.385 | CC(=O)Nc1cc(Cn2ccnc2)c3cccc(O)c3n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1cc(c2cccc(c2n1)O)Cn3ccnc3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1cc(c2cccc(c2n1)O)Cn3ccnc3 |