Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1nc(nc(c1)c3cc(OCCN2CCOCC2)c(Cl)cc3Cl)N |
SMILES_CANONICAL | CACTVS | 3.352 | Nc1nc(Cl)cc(n1)c2cc(OCCN3CCOCC3)c(Cl)cc2Cl |
SMILES | CACTVS | 3.352 | Nc1nc(Cl)cc(n1)c2cc(OCCN3CCOCC3)c(Cl)cc2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1c(c(cc(c1OCCN2CCOCC2)Cl)Cl)c3cc(nc(n3)N)Cl |
SMILES | OpenEye OEToolkits | 1.6.1 | c1c(c(cc(c1OCCN2CCOCC2)Cl)Cl)c3cc(nc(n3)N)Cl |
InChI | InChI | 1.03 | InChI=1S/C16H17Cl3N4O2/c17-11-8-12(18)14(25-6-3-23-1-4-24-5-2-23)7-10(11)13-9-15(19)22-16(20)21-13/h7-9H,1-6H2,(H2,20,21,22) |
InChIKey | InChI | 1.03 | LOXMPVJOMICPAW-UHFFFAOYSA-N |