4-[2-(4-fluorophenyl)ethynyl]-2-methylsulfanyl-6-pyrrolidin-1-yl-pyrimidine-5-carbaldehyde

Systemtic Name: 4-[2-(4-fluorophenyl)ethynyl]-2-methylsulfanyl-6-pyrrolidin-1-yl-pyrimidine-5-carbaldehyde Openeye Name: 4-[2-(4-fluorophenyl)ethynyl]-2-methylsulfanyl-6-pyrrolidin-1-yl-pyrimidine-5-carbaldehyde CAS Name: 4-[2-(4-fluorophenyl)ethynyl]-2-(methylthio)-6-(1-pyrrolidinyl)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-[2-(4-fluorophenyl)ethynyl]-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde Traditional Name: 4-[2-(4-fluorophenyl)ethynyl]-2-(methylthio)-6-pyrrolidino-pyrimidine-5-carbaldehyde Formula: C18H16FN3OS MolecularWeight: 341.402543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)N2CCCC2)C=O)C#CC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=NC(=C(C(=N1)N2CCCC2)C=O)C#CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN3OS/c1-24-18-20-16(9-6-13-4-7-14(19)8-5-13)15(12-23)17(21-18)22-10-2-3-11-22/h4-5,7-8,12H,2-3,10-11H2,1H3