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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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