Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2ccc(Nc1ccc(Cl)cc1)nc2n3c(cc(n3)C)C |
InChI | InChI | 1.03 | InChI=1S/C15H14ClN5/c1-10-9-11(2)21(20-10)15-17-8-7-14(19-15)18-13-5-3-12(16)4-6-13/h3-9H,1-2H3,(H,17,18,19) |
InChIKey | InChI | 1.03 | MYCRDMLFNQGDBT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)n(n1)c2nccc(Nc3ccc(Cl)cc3)n2 |
SMILES | CACTVS | 3.385 | Cc1cc(C)n(n1)c2nccc(Nc3ccc(Cl)cc3)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1cc(n(n1)c2nccc(n2)Nc3ccc(cc3)Cl)C |
SMILES | OpenEye OEToolkits | 2.0.4 | Cc1cc(n(n1)c2nccc(n2)Nc3ccc(cc3)Cl)C |