N-(5-ethanoyl-6-methylsulfanyl-2-phenyl-pyrimidin-4-yl)-2-phenyl-ethanamide

Systemtic Name: N-(5-ethanoyl-6-methylsulfanyl-2-phenyl-pyrimidin-4-yl)-2-phenyl-ethanamide Openeye Name: N-(5-acetyl-6-methylsulfanyl-2-phenyl-pyrimidin-4-yl)-2-phenyl-acetamide CAS Name: N-[5-acetyl-6-(methylthio)-2-phenyl-4-pyrimidinyl]-2-phenylacetamide IUPAC Name: N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide Traditional Name: N-[5-acetyl-6-(methylthio)-2-phenyl-pyrimidin-4-yl]-2-phenyl-acetamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O2S/c1-14(25)18-20(22-17(26)13-15-9-5-3-6-10-15)23-19(24-21(18)27-2)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3,(H,22,23,24,26)