Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc4cccc(c2nc1ccnn1c(c2)NCc3ccncc3)c4Cl |
SMILES_CANONICAL | CACTVS | 3.341 | Clc1cccc(c1Cl)c2cc(NCc3ccncc3)n4nccc4n2 |
SMILES | CACTVS | 3.341 | Clc1cccc(c1Cl)c2cc(NCc3ccncc3)n4nccc4n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)ccn3)NCc4ccncc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)ccn3)NCc4ccncc4 |
InChI | InChI | 1.03 | InChI=1S/C18H13Cl2N5/c19-14-3-1-2-13(18(14)20)15-10-17(25-16(24-15)6-9-23-25)22-11-12-4-7-21-8-5-12/h1-10,22H,11H2 |
InChIKey | InChI | 1.03 | CVYWYUAQFJMLEO-UHFFFAOYSA-N |