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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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