4-[4-(5-fluoranyl-4-methylsulfanyl-pyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-[4-(5-fluoranyl-4-methylsulfanyl-pyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-[4-(5-fluoro-4-methylsulfanyl-pyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[4-[5-fluoro-4-(methylthio)-2-pyrimidinyl]-1-piperazinyl]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[4-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[4-[5-fluoro-4-(methylthio)pyrimidin-2-yl]piperazino]-1-(4-fluorophenyl)butan-1-one Formula: C19H22F2N4OS MolecularWeight: 392.465986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC=C1F)N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=NC(=NC=C1F)N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H22F2N4OS/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13H,2-3,8-12H2,1H3