2-[4-chloranyl-6-[4-(4-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-chloranyl-6-[4-(4-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-chloro-6-[4-(4-fluorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-chloro-6-[4-[(4-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-chloro-6-[4-(4-fluorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-chloro-6-[4-(4-fluorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-1-pyrrolidino-ethanone Formula: C22H25ClFN5O2S MolecularWeight: 477.982603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)F)C3=CC(=NC(=N3)SCC(=O)N4CCCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)F)C3=CC(=NC(=N3)SCC(=O)N4CCCC4)Cl

InChI

InChI=1S/C22H25ClFN5O2S/c1-15-13-28(10-11-29(15)21(31)16-4-6-17(24)7-5-16)19-12-18(23)25-22(26-19)32-14-20(30)27-8-2-3-9-27/h4-7,12,15H,2-3,8-11,13-14H2,1H3