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

Systemtic Name: 2-[4-chloranyl-6-[4-(3-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[4-chloro-6-[4-(3-fluorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 2-[[4-chloro-6-[4-[(3-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[4-chloro-6-[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-benzylpiperidino)-2-[[4-chloro-6-[4-(3-fluorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]ethanone Formula: C30H33ClFN5O2S MolecularWeight: 582.131723

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)F)C3=CC(=NC(=N3)SCC(=O)N4CCC(CC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)F)C3=CC(=NC(=N3)SCC(=O)N4CCC(CC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C30H33ClFN5O2S/c1-21-19-36(14-15-37(21)29(39)24-8-5-9-25(32)17-24)27-18-26(31)33-30(34-27)40-20-28(38)35-12-10-23(11-13-35)16-22-6-3-2-4-7-22/h2-9,17-18,21,23H,10-16,19-20H2,1H3