Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(nc(CC)nc(c1cc(Cl)ccc1)n2)Nc3ccc(cc3)CCO |
InChI | InChI | 1.03 | InChI=1S/C19H19ClN4O/c1-2-17-22-18(14-4-3-5-15(20)12-14)24-19(23-17)21-16-8-6-13(7-9-16)10-11-25/h3-9,12,25H,2,10-11H2,1H3,(H,21,22,23,24) |
InChIKey | InChI | 1.03 | WKMVCRJLJVVRHA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1nc(Nc2ccc(CCO)cc2)nc(n1)c3cccc(Cl)c3 |
SMILES | CACTVS | 3.385 | CCc1nc(Nc2ccc(CCO)cc2)nc(n1)c3cccc(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1nc(nc(n1)Nc2ccc(cc2)CCO)c3cccc(c3)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | CCc1nc(nc(n1)Nc2ccc(cc2)CCO)c3cccc(c3)Cl |