Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3cc(c1nc(nc(n1)Nc2ccccc2)N)c(O)cc3 |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc(Nc2ccccc2)nc(n1)c3cc(Cl)ccc3O |
SMILES | CACTVS | 3.370 | Nc1nc(Nc2ccccc2)nc(n1)c3cc(Cl)ccc3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Nc2nc(nc(n2)N)c3cc(ccc3O)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Nc2nc(nc(n2)N)c3cc(ccc3O)Cl |
InChI | InChI | 1.03 | InChI=1S/C15H12ClN5O/c16-9-6-7-12(22)11(8-9)13-19-14(17)21-15(20-13)18-10-4-2-1-3-5-10/h1-8,22H,(H3,17,18,19,20,21) |
InChIKey | InChI | 1.03 | GLZDHSRHLCFCED-UHFFFAOYSA-N |