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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

InChI

InChI=1S/C21H20BrN3O2S/c1-13-10-16(22)8-9-18(13)24-19(26)11-17-14(2)23-21(25-20(17)27)28-12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,24,26)(H,23,25,27)