N-[2-(4-fluorophenyl)ethyl]-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O2S/c22-17-8-6-15(7-9-17)10-11-23-19(26)12-18-13-20(27)25-21(24-18)28-14-16-4-2-1-3-5-16/h1-9,13H,10-12,14H2,(H,23,26)(H,24,25,27)