Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCc1cc(cc(Cl)n1)C(=O)Nc1ccn2nc(nc2c1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C20H16ClN5O/c1-2-15-10-14(11-17(21)22-15)20(27)23-16-8-9-26-18(12-16)24-19(25-26)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,23,27) |
InChIKey | InChI | 1.03 | OBEWJPYKZLVLHV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(cc(Cl)n1)C(=O)Nc2ccn3nc(nc3c2)c4ccccc4 |
SMILES | CACTVS | 3.385 | CCc1cc(cc(Cl)n1)C(=O)Nc2ccn3nc(nc3c2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1cc(cc(n1)Cl)C(=O)Nc2ccn3c(c2)nc(n3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cc(cc(n1)Cl)C(=O)Nc2ccn3c(c2)nc(n3)c4ccccc4 |