4-(4-fluorophenyl)-2-methylsulfanyl-6-[[2,4,6-tris(fluoranyl)phenyl]amino]pyrimidine-5-carbaldehyde

Systemtic Name: 4-(4-fluorophenyl)-2-methylsulfanyl-6-[[2,4,6-tris(fluoranyl)phenyl]amino]pyrimidine-5-carbaldehyde Openeye Name: 4-(4-fluorophenyl)-2-methylsulfanyl-6-(2,4,6-trifluoroanilino)pyrimidine-5-carbaldehyde CAS Name: 4-(4-fluorophenyl)-2-(methylthio)-6-(2,4,6-trifluoroanilino)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-(4-fluorophenyl)-2-methylsulfanyl-6-(2,4,6-trifluoroanilino)pyrimidine-5-carbaldehyde Traditional Name: 4-(4-fluorophenyl)-2-(methylthio)-6-(2,4,6-trifluoroanilino)pyrimidine-5-carbaldehyde Formula: C18H11F4N3OS MolecularWeight: 393.358053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NC2=C(C=C(C=C2F)F)F)C=O)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=NC(=C(C(=N1)NC2=C(C=C(C=C2F)F)F)C=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H11F4N3OS/c1-27-18-24-15(9-2-4-10(19)5-3-9)12(8-26)17(25-18)23-16-13(21)6-11(20)7-14(16)22/h2-8H,1H3,(H,23,24,25)