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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(3-methylsulfonylphenyl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(3-methylsulfonylphenyl)propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-(3-methylsulfonylphenyl)propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylsulfonylphenyl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(3-mesylphenyl)propionamide Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C17H21N3O3S2/c1-11-15(12(2)19-17(18-11)24-3)8-9-16(21)20-13-6-5-7-14(10-13)25(4,22)23/h5-7,10H,8-9H2,1-4H3,(H,20,21)