Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc4cccc(OCc1nn(c2ncnc(N)c12)C3CCOCC3)c4 |
InChI | InChI | 1.03 | InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21) |
InChIKey | InChI | 1.03 | AUMDBEHGJRZSOO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C4CCOCC4 |
SMILES | CACTVS | 3.370 | Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)OCc2c3c(ncnc3n(n2)C4CCOCC4)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)OCc2c3c(ncnc3n(n2)C4CCOCC4)N |