Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCC(=O)N(C)C1CC(C)(C1)Oc1nc(cn2nccc12)c1cn(C)nc1 |
InChI | InChI | 1.06 | InChI=1S/C19H24N6O2/c1-5-17(26)24(4)14-8-19(2,9-14)27-18-16-6-7-20-25(16)12-15(22-18)13-10-21-23(3)11-13/h6-7,10-12,14H,5,8-9H2,1-4H3/t14-,19- |
InChIKey | InChI | 1.06 | MOIIQKULMWBCCK-QUWSVYMGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N(C)[C@H]1C[C@](C)(C1)Oc2nc(cn3nccc23)c4cnn(C)c4 |
SMILES | CACTVS | 3.385 | CCC(=O)N(C)[CH]1C[C](C)(C1)Oc2nc(cn3nccc23)c4cnn(C)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(C)C1CC(C1)(C)Oc2c3ccnn3cc(n2)c4cnn(c4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(C)C1CC(C1)(C)Oc2c3ccnn3cc(n2)c4cnn(c4)C |