Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(c(ccc1O)c4cc3nnc(C(Nc2ccc(C)nc2)=O)c3cc4)CC |
InChI | InChI | 1.03 | InChI=1S/C22H20N4O2/c1-3-14-10-17(27)7-9-18(14)15-5-8-19-20(11-15)25-26-21(19)22(28)24-16-6-4-13(2)23-12-16/h4-12,27H,3H2,1-2H3,(H,24,28)(H,25,26) |
InChIKey | InChI | 1.03 | CUKXYSDQFPFABZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(O)ccc1c2ccc3c([nH]nc3C(=O)Nc4ccc(C)nc4)c2 |
SMILES | CACTVS | 3.385 | CCc1cc(O)ccc1c2ccc3c([nH]nc3C(=O)Nc4ccc(C)nc4)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)Nc4ccc(nc4)C)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)Nc4ccc(nc4)C)O |