3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(2-iodanylphenyl)propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(2-iodanylphenyl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(2-iodophenyl)propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-(2-iodophenyl)propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-iodophenyl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(2-iodophenyl)propionamide Formula: C16H18IN3OS MolecularWeight: 427.30309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=CC=C2I

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=CC=C2I

InChI

InChI=1S/C16H18IN3OS/c1-10-12(11(2)19-16(18-10)22-3)8-9-15(21)20-14-7-5-4-6-13(14)17/h4-7H,8-9H2,1-3H3,(H,20,21)