Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cnccc1NC(=O)Cn1cc(c2c1N=CN(C)C2=O)c1ccc(O)c(C#N)c1 |
InChI | InChI | 1.03 | InChI=1S/C21H15ClN6O3/c1-27-11-25-20-19(21(27)31)14(12-2-3-17(29)13(6-12)7-23)9-28(20)10-18(30)26-16-4-5-24-8-15(16)22/h2-6,8-9,11,29H,10H2,1H3,(H,24,26,30) |
InChIKey | InChI | 1.03 | OMQBAUBAIKPPEO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C=Nc2n(CC(=O)Nc3ccncc3Cl)cc(c4ccc(O)c(c4)C#N)c2C1=O |
SMILES | CACTVS | 3.385 | CN1C=Nc2n(CC(=O)Nc3ccncc3Cl)cc(c4ccc(O)c(c4)C#N)c2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=Nc2c(c(cn2CC(=O)Nc3ccncc3Cl)c4ccc(c(c4)C#N)O)C1=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=Nc2c(c(cn2CC(=O)Nc3ccncc3Cl)c4ccc(c(c4)C#N)O)C1=O |