Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1nnc2c1CC(CC2)C(C)(C)CC)NN |
SMILES_CANONICAL | CACTVS | 3.370 | CCC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NN)c2C1 |
SMILES | CACTVS | 3.370 | CCC(C)(C)[CH]1CCc2[nH]nc(C(=O)NN)c2C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1 |
SMILES | OpenEye OEToolkits | 1.7.0 | CCC(C)(C)C1CCc2c(c(n[nH]2)C(=O)NN)C1 |
InChI | InChI | 1.03 | InChI=1S/C13H22N4O/c1-4-13(2,3)8-5-6-10-9(7-8)11(17-16-10)12(18)15-14/h8H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)/t8-/m1/s1 |
InChIKey | InChI | 1.03 | YAHBQFQHOVVECT-MRVPVSSYSA-N |