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

Systemtic Name: 3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(4-fluorophenyl)benzamide Openeye Name: 3-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(4-fluorophenyl)benzamide CAS Name: 3-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(4-fluorophenyl)benzamide IUPAC Name: 3-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(4-fluorophenyl)benzamide Traditional Name: 3-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(4-fluorophenyl)benzamide Formula: C22H20ClFN4OS MolecularWeight: 442.936803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C22H20ClFN4OS/c23-19-13-20(28-10-1-2-11-28)27-22(26-19)30-14-15-4-3-5-16(12-15)21(29)25-18-8-6-17(24)7-9-18/h3-9,12-13H,1-2,10-11,14H2,(H,25,29)