Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C)(C)NC(n2c(Nc1ccc(cc1)Cl)nc(N)n2)=O |
InChI | InChI | 1.03 | InChI=1S/C12H15ClN6O/c1-7(2)15-12(20)19-11(17-10(14)18-19)16-9-5-3-8(13)4-6-9/h3-7H,1-2H3,(H,15,20)(H3,14,16,17,18) |
InChIKey | InChI | 1.03 | WQFRHSPASBOZIT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC(=O)n1nc(N)nc1Nc2ccc(Cl)cc2 |
SMILES | CACTVS | 3.385 | CC(C)NC(=O)n1nc(N)nc1Nc2ccc(Cl)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)NC(=O)n1c(nc(n1)N)Nc2ccc(cc2)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)NC(=O)n1c(nc(n1)N)Nc2ccc(cc2)Cl |