2-[4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-1-piperazinyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]piperazino]-N-(4-fluorophenyl)acetamide Formula: C18H19ClFN5O2S MolecularWeight: 423.892163

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C18H19ClFN5O2S/c1-28-18-21-10-14(19)16(23-18)17(27)25-8-6-24(7-9-25)11-15(26)22-13-4-2-12(20)3-5-13/h2-5,10H,6-9,11H2,1H3,(H,22,26)