N-[3,5-bis(trifluoromethyl)phenyl]-2-chloranyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-chloranyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-propyl-pyrimidine-5-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-propylpyrimidine-5-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-propyl-pyrimidine-5-carboxamide Formula: C16H12ClF6N3O MolecularWeight: 411.729399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl

InChI

InChI=1S/C16H12ClF6N3O/c1-2-3-12-11(7-24-14(17)26-12)13(27)25-10-5-8(15(18,19)20)4-9(6-10)16(21,22)23/h4-7H,2-3H2,1H3,(H,25,27)