3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C16H17FN4O3S MolecularWeight: 364.394583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H17FN4O3S/c1-9-12(10(2)19-16(18-9)25-3)5-7-15(22)20-11-4-6-13(17)14(8-11)21(23)24/h4,6,8H,5,7H2,1-3H3,(H,20,22)