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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(4-bromo-3-methyl-phenyl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(4-bromo-3-methylphenyl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(4-bromo-3-methyl-phenyl)propionamide Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C)Br

InChI

InChI=1S/C22H22BrN3O2S/c1-14-12-17(8-10-19(14)23)25-20(27)11-9-18-15(2)24-22(26-21(18)28)29-13-16-6-4-3-5-7-16/h3-8,10,12H,9,11,13H2,1-2H3,(H,25,27)(H,24,26,28)