Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

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

ProgramVersionName
OpenEye OEToolkits2.0.62-(trifluoromethyl)pyrimidine-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13)
InChIKeyInChI1.03OKRNBFHZDGTDRX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1cnc(nc1)C(F)(F)F
SMILESCACTVS3.385NC(=O)c1cnc(nc1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.6c1c(cnc(n1)C(F)(F)F)C(=O)N
SMILESOpenEye OEToolkits2.0.6c1c(cnc(n1)C(F)(F)F)C(=O)N

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon