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 |