8QE
Summary
| Name: | 4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide |
| Formula: | C17 H20 N6 O |
| Formal charge: | 0 |
| Formula weight: | 324.38 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23) |
| InChIKey | InChI | 1.03 | XDEFNAWAKYQBQY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)Nc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N |
| SMILES | CACTVS | 3.385 | CC(C)(C)Nc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)Nc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)Nc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N |
