LWN
Summary
| Name: | methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate |
| Formula: | C15 H14 F2 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 348.307 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H14F2N6O2/c1-23-14-9(6-19-23)13(18-7-12(24)25-2)21-15(22-14)20-8-3-4-10(16)11(17)5-8/h3-6H,7H2,1-2H3,(H2,18,20,21,22) |
| InChIKey | InChI | 1.03 | IIDIQDPMMHWKNL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CNc1nc(Nc2ccc(F)c(F)c2)nc3n(C)ncc13 |
| SMILES | CACTVS | 3.385 | COC(=O)CNc1nc(Nc2ccc(F)c(F)c2)nc3n(C)ncc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c2c(cn1)c(nc(n2)Nc3ccc(c(c3)F)F)NCC(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2c(cn1)c(nc(n2)Nc3ccc(c(c3)F)F)NCC(=O)OC |
