98A
Summary
| Name: | 6-(1-methylpyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine |
| Formula: | C18 H19 N9 |
| Formal charge: | 0 |
| Formula weight: | 361.404 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-(1-methylpyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H19N9/c1-24-11-15(10-22-24)14-9-16-17(21-13-23-27(16)12-14)25-5-7-26(8-6-25)18-19-3-2-4-20-18/h2-4,9-13H,5-8H2,1H3 |
| InChIKey | InChI | 1.06 | HKKJTAWWASVXFI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)c2cn3ncnc(N4CCN(CC4)c5ncccn5)c3c2 |
| SMILES | CACTVS | 3.385 | Cn1cc(cn1)c2cn3ncnc(N4CCN(CC4)c5ncccn5)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)c2cc3c(ncnn3c2)N4CCN(CC4)c5ncccn5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)c2cc3c(ncnn3c2)N4CCN(CC4)c5ncccn5 |
