5-(4-fluorophenyl)-2-(2-phenylazanylethylsulfanyl)-6-pyridin-4-yl-1H-pyrimidin-4-one

Systemtic Name: 5-(4-fluorophenyl)-2-(2-phenylazanylethylsulfanyl)-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-(2-anilinoethylsulfanyl)-5-(4-fluorophenyl)-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-(2-anilinoethylthio)-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-(2-anilinoethylsulfanyl)-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-(2-anilinoethylthio)-5-(4-fluorophenyl)-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C23H19FN4OS MolecularWeight: 418.486563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCSC2=NC(=O)C(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)NCCSC2=NC(=O)C(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H19FN4OS/c24-18-8-6-16(7-9-18)20-21(17-10-12-25-13-11-17)27-23(28-22(20)29)30-15-14-26-19-4-2-1-3-5-19/h1-13,26H,14-15H2,(H,27,28,29)