Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H17ClN8O/c1-10-4-13(26-29-10)8-28-7-12(5-22-28)16-15(20)6-21-19-17(16)23-18(24-19)14-9-27(3)25-11(14)2/h4-7,9H,8H2,1-3H3,(H,21,23,24) |
InChIKey | InChI | 1.03 | FZRLFVHIDOFKIN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(c(C)n1)c2[nH]c3c(ncc(Cl)c3c4cnn(Cc5cc(C)on5)c4)n2 |
SMILES | CACTVS | 3.385 | Cn1cc(c(C)n1)c2[nH]c3c(ncc(Cl)c3c4cnn(Cc5cc(C)on5)c4)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(no1)Cn2cc(cn2)c3c(cnc4c3[nH]c(n4)c5cn(nc5C)C)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(no1)Cn2cc(cn2)c3c(cnc4c3[nH]c(n4)c5cn(nc5C)C)Cl |