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

Systemtic Name: 4-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(4-fluorophenyl)benzamide Openeye Name: 4-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-(4-fluorophenyl)benzamide CAS Name: 4-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-(4-fluorophenyl)benzamide IUPAC Name: 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-(4-fluorophenyl)benzamide Traditional Name: 4-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-(4-fluorophenyl)benzamide Formula: C22H20ClFN4O2S MolecularWeight: 458.936203

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1COCCN1C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C22H20ClFN4O2S/c23-19-13-20(28-9-11-30-12-10-28)27-22(26-19)31-14-15-1-3-16(4-2-15)21(29)25-18-7-5-17(24)6-8-18/h1-8,13H,9-12,14H2,(H,25,29)