2-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-N-propyl-ethanamide

Systemtic Name: 2-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[6-[4-(2-fluorophenyl)-1-piperazinyl]-4-pyrimidinyl]thio]-N-propylacetamide IUPAC Name: 2-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[6-[4-(2-fluorophenyl)piperazino]pyrimidin-4-yl]thio]-N-propyl-acetamide Formula: C19H24FN5OS MolecularWeight: 389.490163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC=NC(=C1)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CCCNC(=O)CSC1=NC=NC(=C1)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C19H24FN5OS/c1-2-7-21-18(26)13-27-19-12-17(22-14-23-19)25-10-8-24(9-11-25)16-6-4-3-5-15(16)20/h3-6,12,14H,2,7-11,13H2,1H3,(H,21,26)