3-[[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 3-[[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 3-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(2-furylmethyl)benzamide CAS Name: 3-[[[4-chloro-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 3-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 3-[[[4-chloro-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-(2-furfuryl)benzamide Formula: C27H25ClFN5O2S MolecularWeight: 538.036103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NCC5=CC=CO5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NCC5=CC=CO5)Cl

InChI

InChI=1S/C27H25ClFN5O2S/c28-24-16-25(34-12-10-33(11-13-34)23-9-2-1-8-22(23)29)32-27(31-24)37-18-19-5-3-6-20(15-19)26(35)30-17-21-7-4-14-36-21/h1-9,14-16H,10-13,17-18H2,(H,30,35)