N6Z
Summary
| Name: | ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide |
| Formula: | C27 H29 F2 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 509.548 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C27H29F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h7-8,11-14,16H,4-6,9-10H2,1-3H3,(H,33,36)(H2,30,31,32) |
| InChIKey | InChI | 1.03 | CTBIYDHGUMTQNM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N(C)CCOc1c(N)ncnc1c2cc(F)cc(NC(=O)c3ccc(cc3F)C4CC4)c2C |
| SMILES | CACTVS | 3.385 | CCC(=O)N(C)CCOc1c(N)ncnc1c2cc(F)cc(NC(=O)c3ccc(cc3F)C4CC4)c2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(C)CCOc1c(ncnc1N)c2cc(cc(c2C)NC(=O)c3ccc(cc3F)C4CC4)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(C)CCOc1c(ncnc1N)c2cc(cc(c2C)NC(=O)c3ccc(cc3F)C4CC4)F |
