N-(4-bromanyl-3-methyl-phenyl)-2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[6-methyl-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[4-keto-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetamide Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC2=C(NC(=NC2=O)SC(C)C3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC2=C(NC(=NC2=O)SC(C)C3=CC=CC=C3)C)Br

InChI

InChI=1S/C22H22BrN3O2S/c1-13-11-17(9-10-19(13)23)25-20(27)12-18-14(2)24-22(26-21(18)28)29-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,25,27)(H,24,26,28)