7PU
Summary
| Name: | N-[3-[[6-[[3-[bis(fluoranyl)methyl]phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide |
| Formula: | C21 H19 F2 N5 O |
| Formal charge: | 0 |
| Formula weight: | 395.405 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-[[6-[[3-[bis(fluoranyl)methyl]phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H19F2N5O/c22-20(23)14-3-1-4-15(9-14)26-18-11-19(25-12-24-18)27-16-5-2-6-17(10-16)28-21(29)13-7-8-13/h1-6,9-13,20H,7-8H2,(H,28,29)(H2,24,25,26,27) |
| InChIKey | InChI | 1.03 | JQXVFDHRPZGRPG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)c1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1 |
| SMILES | CACTVS | 3.385 | FC(F)c1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Nc2cc(ncn2)Nc3cccc(c3)NC(=O)C4CC4)C(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Nc2cc(ncn2)Nc3cccc(c3)NC(=O)C4CC4)C(F)F |
