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

Systemtic Name: 2-[4-chloranyl-6-[4-(4-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-chloro-6-[4-(4-fluorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[4-chloro-6-[4-[(4-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-chloro-6-[4-(4-fluorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[4-chloro-6-[4-(4-fluorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-1-piperidino-ethanone Formula: C23H27ClFN5O2S MolecularWeight: 492.009183

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)F)C3=CC(=NC(=N3)SCC(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)F)C3=CC(=NC(=N3)SCC(=O)N4CCCCC4)Cl

InChI

InChI=1S/C23H27ClFN5O2S/c1-16-14-29(11-12-30(16)22(32)17-5-7-18(25)8-6-17)20-13-19(24)26-23(27-20)33-15-21(31)28-9-3-2-4-10-28/h5-8,13,16H,2-4,9-12,14-15H2,1H3