Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1ncc2NC(=O)N(c2n1)c1cnc(Oc2cccc3OCC(C)(C)c32)c(Cl)c1C |
InChI | InChI | 1.06 | InChI=1S/C22H20ClN5O3/c1-11-14(28-19-13(27-21(28)29)8-24-12(2)26-19)9-25-20(18(11)23)31-16-7-5-6-15-17(16)22(3,4)10-30-15/h5-9H,10H2,1-4H3,(H,27,29) |
InChIKey | InChI | 1.06 | MLPMJBILCUWBJI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncc2NC(=O)N(c3cnc(Oc4cccc5OCC(C)(C)c45)c(Cl)c3C)c2n1 |
SMILES | CACTVS | 3.385 | Cc1ncc2NC(=O)N(c3cnc(Oc4cccc5OCC(C)(C)c45)c(Cl)c3C)c2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cnc(c1Cl)Oc2cccc3c2C(CO3)(C)C)N4c5c(cnc(n5)C)NC4=O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cnc(c1Cl)Oc2cccc3c2C(CO3)(C)C)N4c5c(cnc(n5)C)NC4=O |