1-(azepan-1-yl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-[4-(4-fluorophenyl)-1-piperazinyl]-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-[4-(4-fluorophenyl)piperazino]pyrimidin-4-yl]thio]ethanone Formula: C22H28FN5OS MolecularWeight: 429.554023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H28FN5OS/c23-18-5-7-19(8-6-18)26-11-13-27(14-12-26)20-15-21(25-17-24-20)30-16-22(29)28-9-3-1-2-4-10-28/h5-8,15,17H,1-4,9-14,16H2