Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(Cl)nc4c(c(n1)N3c2ccc(cc2NC(=O)C3)OC)occ4 |
InChI | InChI | 1.03 | InChI=1S/C15H11ClN4O3/c1-22-8-2-3-11-10(6-8)17-12(21)7-20(11)14-13-9(4-5-23-13)18-15(16)19-14/h2-6H,7H2,1H3,(H,17,21) |
InChIKey | InChI | 1.03 | CIWSQRPJOUYPNZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4ccoc34 |
SMILES | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4ccoc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)NC(=O)CN2c3c4c(cco4)nc(n3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)NC(=O)CN2c3c4c(cco4)nc(n3)Cl |