A1JHF
Summary
| Name: | ~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-1-[5-chloranyl-2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]azetidine-3-carboxamide |
| Formula: | C19 H23 Cl F2 N6 O |
| Formal charge: | 0 |
| Formula weight: | 424.875 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-1-[5-chloranyl-2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]azetidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H23ClF2N6O/c1-27(2)6-5-23-19-25-9-15(20)17(26-19)28-10-13(11-28)18(29)24-8-12-3-4-14(21)7-16(12)22/h3-4,7,9,13H,5-6,8,10-11H2,1-2H3,(H,24,29)(H,23,25,26) |
| InChIKey | InChI | 1.06 | ALMPYYUVDQUXFO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCNc1ncc(Cl)c(n1)N2CC(C2)C(=O)NCc3ccc(F)cc3F |
| SMILES | CACTVS | 3.385 | CN(C)CCNc1ncc(Cl)c(n1)N2CC(C2)C(=O)NCc3ccc(F)cc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCNc1ncc(c(n1)N2CC(C2)C(=O)NCc3ccc(cc3F)F)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCNc1ncc(c(n1)N2CC(C2)C(=O)NCc3ccc(cc3F)F)Cl |
