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

Systemtic Name: N-(4-fluorophenyl)-2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)-N-(4-fluorophenyl)acetamide CAS Name: N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide Traditional Name: 2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]-N-(4-fluorophenyl)acetamide Formula: C20H18FN3O2S MolecularWeight: 383.439223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3O2S/c1-14-11-19(26)24(12-18(25)23-17-9-7-16(21)8-10-17)20(22-14)27-13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,23,25)