TWK
Summary
| Name: | 4-amino-6-(2,3-difluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| Synonyms: | 4-azanyl-6-[2,3-bis(fluoranyl)phenyl]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| Formula: | C14 H9 F2 N5 |
| Formal charge: | 0 |
| Formula weight: | 285.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-6-[2,3-bis(fluoranyl)phenyl]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H9F2N5/c1-21-12(7-3-2-4-9(15)11(7)16)8(5-17)10-13(18)19-6-20-14(10)21/h2-4,6H,1H3,(H2,18,19,20) |
| InChIKey | InChI | 1.03 | BGLHMMMVKDNVCA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c2ncnc(N)c2c(C#N)c1c3cccc(F)c3F |
| SMILES | CACTVS | 3.385 | Cn1c2ncnc(N)c2c(C#N)c1c3cccc(F)c3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(c(c2c1ncnc2N)C#N)c3cccc(c3F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(c(c2c1ncnc2N)C#N)c3cccc(c3F)F |
