Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(c(cccc1Cl)Cl)c4nc3c(ccnc3NC(C2CC2)=O)n4 |
InChI | InChI | 1.03 | InChI=1S/C16H12Cl2N4O/c17-9-2-1-3-10(18)12(9)14-20-11-6-7-19-15(13(11)21-14)22-16(23)8-4-5-8/h1-3,6-8H,4-5H2,(H,20,21)(H,19,22,23) |
InChIKey | InChI | 1.03 | OFPQQEBBZKPLFE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(Cl)c1c2[nH]c3ccnc(NC(=O)C4CC4)c3n2 |
SMILES | CACTVS | 3.385 | Clc1cccc(Cl)c1c2[nH]c3ccnc(NC(=O)C4CC4)c3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)Cl)c2[nH]c3ccnc(c3n2)NC(=O)C4CC4)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)Cl)c2[nH]c3ccnc(c3n2)NC(=O)C4CC4)Cl |