Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c3cnn1c3nc(Cl)c(c1O)Cc2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1cnn2c(O)c(Cc3ccccc3)c(Cl)nc12 |
SMILES | CACTVS | 3.370 | OC(=O)c1cnn2c(O)c(Cc3ccccc3)c(Cl)nc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C(=O)O)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C(=O)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C14H10ClN3O3/c15-11-9(6-8-4-2-1-3-5-8)13(19)18-12(17-11)10(7-16-18)14(20)21/h1-5,7,19H,6H2,(H,20,21) |
InChIKey | InChI | 1.03 | AMDMCXLZDLJCSY-UHFFFAOYSA-N |