XOZ
Summary
| Name: | 1-[3,5-bis(fluoranyl)-4-[[3-(1,3-thiazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea |
| Formula: | C20 H17 F2 N5 O3 S |
| Formal charge: | 0 |
| Formula weight: | 445.442 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[3,5-bis(fluoranyl)-4-[[3-(1,3-thiazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H17F2N5O3S/c1-29-5-4-25-20(28)27-11-6-13(21)18(14(22)7-11)30-15-2-3-24-19-17(15)12(8-26-19)16-9-23-10-31-16/h2-3,6-10H,4-5H2,1H3,(H,24,26)(H2,25,27,28) |
| InChIKey | InChI | 1.06 | GESKELIKUUWDIY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCNC(=O)Nc1cc(F)c(Oc2ccnc3[nH]cc(c4scnc4)c23)c(F)c1 |
| SMILES | CACTVS | 3.385 | COCCNC(=O)Nc1cc(F)c(Oc2ccnc3[nH]cc(c4scnc4)c23)c(F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCNC(=O)Nc1cc(c(c(c1)F)Oc2ccnc3c2c(c[nH]3)c4cncs4)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCCNC(=O)Nc1cc(c(c(c1)F)Oc2ccnc3c2c(c[nH]3)c4cncs4)F |
