4-[2-(4-fluorophenyl)ethynyl]-2-methylsulfanyl-6-morpholin-4-yl-pyrimidine-5-carbaldehyde

Systemtic Name: 4-[2-(4-fluorophenyl)ethynyl]-2-methylsulfanyl-6-morpholin-4-yl-pyrimidine-5-carbaldehyde Openeye Name: 4-[2-(4-fluorophenyl)ethynyl]-2-methylsulfanyl-6-morpholino-pyrimidine-5-carbaldehyde CAS Name: 4-[2-(4-fluorophenyl)ethynyl]-2-(methylthio)-6-(4-morpholinyl)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-[2-(4-fluorophenyl)ethynyl]-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbaldehyde Traditional Name: 4-[2-(4-fluorophenyl)ethynyl]-2-(methylthio)-6-morpholino-pyrimidine-5-carbaldehyde Formula: C18H16FN3O2S MolecularWeight: 357.401943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)N2CCOCC2)C=O)C#CC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=NC(=C(C(=N1)N2CCOCC2)C=O)C#CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN3O2S/c1-25-18-20-16(7-4-13-2-5-14(19)6-3-13)15(12-23)17(21-18)22-8-10-24-11-9-22/h2-3,5-6,12H,8-11H2,1H3