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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-(2-bromo-4-methylphenyl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C17H20BrN3OS MolecularWeight: 394.3292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C)Br

InChI

InChI=1S/C17H20BrN3OS/c1-10-5-7-15(14(18)9-10)21-16(22)8-6-13-11(2)19-17(23-4)20-12(13)3/h5,7,9H,6,8H2,1-4H3,(H,21,22)