Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cccc(c1)Nc3nc(nc2c3ncn2C(C)C)NC(C(C)C)CO |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c3ncn(C(C)C)c3n1 |
SMILES | CACTVS | 3.341 | CC(C)[CH](CO)Nc1nc(Nc2cccc(Cl)c2)c3ncn(C(C)C)c3n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl |
InChI | InChI | 1.03 | InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | PMXCMJLOPOFPBT-HNNXBMFYSA-N |