6XT
Summary
| Name: | ~{N}-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide |
| Formula: | C18 H20 N6 O |
| Formal charge: | 0 |
| Formula weight: | 336.391 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | ~{N}-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H20N6O/c1-11-3-4-14(9-15(11)20-12(2)25)21-16-10-18(22-13-5-6-13)24-17(23-16)7-8-19-24/h3-4,7-10,13,22H,5-6H2,1-2H3,(H,20,25)(H,21,23) |
| InChIKey | InChI | 1.03 | MEKMMPQBLUKUBS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cc(Nc2cc(NC3CC3)n4nccc4n2)ccc1C |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1cc(Nc2cc(NC3CC3)n4nccc4n2)ccc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)ccn3)NC4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)ccn3)NC4CC4 |
