Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1Nc2ccccc2N=C1CCc1nc2c(Cl)cc(Cl)c(C)n2n1 |
InChI | InChI | 1.03 | InChI=1S/C17H13Cl2N5O/c1-9-10(18)8-11(19)16-22-15(23-24(9)16)7-6-14-17(25)21-13-5-3-2-4-12(13)20-14/h2-5,8H,6-7H2,1H3,(H,21,25) |
InChIKey | InChI | 1.03 | BHMHFOGVMVOAOR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1n2nc(CCC3=Nc4ccccc4NC3=O)nc2c(Cl)cc1Cl |
SMILES | CACTVS | 3.385 | Cc1n2nc(CCC3=Nc4ccccc4NC3=O)nc2c(Cl)cc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c2n1nc(n2)CCC3=Nc4ccccc4NC3=O)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c2n1nc(n2)CCC3=Nc4ccccc4NC3=O)Cl)Cl |