Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1O)Nc2c4ccncc4oc2c3ncccn3 |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1cc(Nc2c(oc3cnccc23)c4ncccn4)ccc1Cl |
SMILES | CACTVS | 3.370 | Oc1cc(Nc2c(oc3cnccc23)c4ncccn4)ccc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cnc(nc1)c2c(c3ccncc3o2)Nc4ccc(c(c4)O)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cnc(nc1)c2c(c3ccncc3o2)Nc4ccc(c(c4)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H11ClN4O2/c18-12-3-2-10(8-13(12)23)22-15-11-4-7-19-9-14(11)24-16(15)17-20-5-1-6-21-17/h1-9,22-23H |
InChIKey | InChI | 1.03 | XNYZWJDKGDUFBJ-UHFFFAOYSA-N |