S7J
Summary
Name: | 2-(trifluoromethyl)pyrimidine-5-carboxamide |
Formula: | C6 H4 F3 N3 O |
Formal charge: | 0 |
Formula weight: | 191.111 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 2-(trifluoromethyl)pyrimidine-5-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13) |
InChIKey | InChI | 1.03 | OKRNBFHZDGTDRX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cnc(nc1)C(F)(F)F |
SMILES | CACTVS | 3.385 | NC(=O)c1cnc(nc1)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cnc(n1)C(F)(F)F)C(=O)N |
SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cnc(n1)C(F)(F)F)C(=O)N |