2QU
Summary
| Name: | 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine |
| Formula: | C12 H8 F N5 |
| Formal charge: | 0 |
| Formula weight: | 241.224 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 1.7.6 | 6-(2-fluoranylpyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc3nccc(c2nc1c(ncnc1N)cc2)c3 |
| InChI | InChI | 1.03 | InChI=1S/C12H8FN5/c13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9/h1-6H,(H2,14,16,17) |
| InChIKey | InChI | 1.03 | CLODUYRNZMIONW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2ccc(nc12)c3ccnc(F)c3 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2ccc(nc12)c3ccnc(F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(nc2c1ncnc2N)c3ccnc(c3)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(nc2c1ncnc2N)c3ccnc(c3)F |
