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

Systemtic Name: N-cyclohexyl-2-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-cyclohexyl-2-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-cyclohexyl-2-[[6-[4-(2-fluorophenyl)-1-piperazinyl]-4-pyrimidinyl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-cyclohexyl-2-[[6-[4-(2-fluorophenyl)piperazino]pyrimidin-4-yl]thio]acetamide Formula: C22H28FN5OS MolecularWeight: 429.554023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H28FN5OS/c23-18-8-4-5-9-19(18)27-10-12-28(13-11-27)20-14-22(25-16-24-20)30-15-21(29)26-17-6-2-1-3-7-17/h4-5,8-9,14,16-17H,1-3,6-7,10-13,15H2,(H,26,29)