Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cnc2n1cc(nc2Nc4ccc(N3CCOCC3)cc4)c5cccnc5 |
SMILES_CANONICAL | CACTVS | 3.352 | Clc1cnc2n1cc(nc2Nc3ccc(cc3)N4CCOCC4)c5cccnc5 |
SMILES | CACTVS | 3.352 | Clc1cnc2n1cc(nc2Nc3ccc(cc3)N4CCOCC4)c5cccnc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(cnc1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl |
SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(cnc1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl |
InChI | InChI | 1.03 | InChI=1S/C21H19ClN6O/c22-19-13-24-21-20(26-18(14-28(19)21)15-2-1-7-23-12-15)25-16-3-5-17(6-4-16)27-8-10-29-11-9-27/h1-7,12-14H,8-11H2,(H,25,26) |
InChIKey | InChI | 1.03 | FXFAGYZXIGMEEG-UHFFFAOYSA-N |