5-hexyl-2-[4-(trifluoromethylsulfonyl)phenyl]pyrimidine

Systemtic Name: 5-hexyl-2-[4-(trifluoromethylsulfonyl)phenyl]pyrimidine Openeye Name: 5-hexyl-2-[4-(trifluoromethylsulfonyl)phenyl]pyrimidine CAS Name: 5-hexyl-2-[4-(trifluoromethylsulfonyl)phenyl]pyrimidine IUPAC Name: 5-hexyl-2-[4-(trifluoromethylsulfonyl)phenyl]pyrimidine Traditional Name: 5-hexyl-2-(4-triflylphenyl)pyrimidine Formula: C17H19F3N2O2S MolecularWeight: 372.40517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H19F3N2O2S/c1-2-3-4-5-6-13-11-21-16(22-12-13)14-7-9-15(10-8-14)25(23,24)17(18,19)20/h7-12H,2-6H2,1H3