2-[4-chloranyl-6-[4-(4-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-ethoxy-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(4-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-ethoxy-ethanamide Openeye Name: 2-[4-chloro-6-[4-(4-fluorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-ethoxy-acetamide CAS Name: 2-[[4-chloro-6-[4-[(4-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-ethoxyacetamide IUPAC Name: 2-[4-chloro-6-[4-(4-fluorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-ethoxyacetamide Traditional Name: 2-[[4-chloro-6-[4-(4-fluorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-ethoxy-acetamide Formula: C20H23ClFN5O3S MolecularWeight: 467.944723

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Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCONC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23ClFN5O3S/c1-3-30-25-18(28)12-31-20-23-16(21)10-17(24-20)26-8-9-27(13(2)11-26)19(29)14-4-6-15(22)7-5-14/h4-7,10,13H,3,8-9,11-12H2,1-2H3,(H,25,28)