D65
Summary
| Name: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| Synonyms: | DSM265 |
| Formula: | C14 H12 F7 N5 S |
| Formal charge: | 0 |
| Formula weight: | 415.332 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| OpenEye OEToolkits | 1.7.6 | 2-[1,1-bis(fluoranyl)ethyl]-5-methyl-N-[4-[pentakis(fluoranyl)-$l^{6}-sulfanyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FS(F)(F)(F)(F)c1ccc(cc1)Nc2cc(nc3nc(nn23)C(F)(F)C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3 |
| InChIKey | InChI | 1.03 | OIZSVTOIBNSVOS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(Nc2ccc(cc2)[S](F)(F)(F)(F)F)n3nc(nc3n1)C(C)(F)F |
| SMILES | CACTVS | 3.385 | Cc1cc(Nc2ccc(cc2)[S](F)(F)(F)(F)F)n3nc(nc3n1)C(C)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)S(F)(F)(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)S(F)(F)(F)(F)F |
