Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1ccc(C)nc1C(=O)Nc1cn2nc(cc2cc1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C21H18N4O/c1-14-8-9-15(2)22-20(14)21(26)23-17-10-11-18-12-19(24-25(18)13-17)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,26) |
InChIKey | InChI | 1.03 | SGINYCKQAHKPGN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C)c(n1)C(=O)Nc2ccc3cc(nn3c2)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cc1ccc(C)c(n1)C(=O)Nc2ccc3cc(nn3c2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(nc1C(=O)Nc2ccc3cc(nn3c2)c4ccccc4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(nc1C(=O)Nc2ccc3cc(nn3c2)c4ccccc4)C |