N-[(4-fluorophenyl)methyl]-2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(4-fluorobenzyl)acetamide Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O2S/c1-14-18(11-19(26)23-12-15-7-9-17(22)10-8-15)20(27)25-21(24-14)28-13-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,23,26)(H,24,25,27)