KR8
Summary
| Name: | ~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine |
| Formula: | C17 H14 N6 |
| Formal charge: | 0 |
| Formula weight: | 302.333 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3 |
| InChIKey | InChI | 1.03 | XYEFJKRTJUALOK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(c1ccccc1)c2nccc(n2)c3cnn4ncccc34 |
| SMILES | CACTVS | 3.385 | CN(c1ccccc1)c2nccc(n2)c3cnn4ncccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(c1ccccc1)c2nccc(n2)c3cnn4c3cccn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(c1ccccc1)c2nccc(n2)c3cnn4c3cccn4 |
