N-[1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperidin-4-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperidin-4-yl]-2-fluoranyl-benzamide Openeye Name: N-[1-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)-4-piperidyl]-2-fluoro-benzamide CAS Name: N-[1-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-4-piperidinyl]-2-fluorobenzamide IUPAC Name: N-[1-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperidin-4-yl]-2-fluorobenzamide Traditional Name: N-[1-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]-4-piperidyl]-2-fluoro-benzamide Formula: C18H18ClFN4O2S MolecularWeight: 408.877523

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C18H18ClFN4O2S/c1-27-18-21-10-13(19)15(23-18)17(26)24-8-6-11(7-9-24)22-16(25)12-4-2-3-5-14(12)20/h2-5,10-11H,6-9H2,1H3,(H,22,25)