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

Systemtic Name: 3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[(4-fluorophenyl)methyl]benzamide Openeye Name: 3-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[(4-fluorophenyl)methyl]benzamide CAS Name: 3-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-[(4-fluorophenyl)methyl]benzamide IUPAC Name: 3-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-[(4-fluorophenyl)methyl]benzamide Traditional Name: 3-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(4-fluorobenzyl)benzamide Formula: C23H22ClFN4OS MolecularWeight: 456.963383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C23H22ClFN4OS/c24-20-13-21(29-10-1-2-11-29)28-23(27-20)31-15-17-4-3-5-18(12-17)22(30)26-14-16-6-8-19(25)9-7-16/h3-9,12-13H,1-2,10-11,14-15H2,(H,26,30)