A1EVA
Summary
| Name: | 2-chloranyl-~{N},7-dimethyl-~{N}-(1-methylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula: | C16 H15 Cl N6 |
| Formal charge: | 0 |
| Formula weight: | 326.784 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N},7-dimethyl-~{N}-(1-methylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15ClN6/c1-21-7-6-12-14(21)19-16(17)20-15(12)22(2)11-4-5-13-10(8-11)9-18-23(13)3/h4-9H,1-3H3 |
| InChIKey | InChI | 1.06 | WNBKOINFPBULDI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc2c1nc(Cl)nc2N(C)c3ccc4n(C)ncc4c3 |
| SMILES | CACTVS | 3.385 | Cn1ccc2c1nc(Cl)nc2N(C)c3ccc4n(C)ncc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1ccc2c1nc(nc2N(C)c3ccc4c(c3)cnn4C)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1ccc2c1nc(nc2N(C)c3ccc4c(c3)cnn4C)Cl |
