N-(4-bromophenyl)-2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanamide

Systemtic Name: N-(4-bromophenyl)-2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanamide Openeye Name: N-(4-bromophenyl)-2-(4-methyl-6-oxo-2-phenethylsulfanyl-pyrimidin-1-yl)acetamide CAS Name: N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(phenethylthio)-1-pyrimidinyl]acetamide IUPAC Name: N-(4-bromophenyl)-2-(4-methyl-6-oxo-2-phenethylsulfanylpyrimidin-1-yl)acetamide Traditional Name: N-(4-bromophenyl)-2-[6-keto-4-methyl-2-(phenethylthio)pyrimidin-1-yl]acetamide Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O2S/c1-15-13-20(27)25(14-19(26)24-18-9-7-17(22)8-10-18)21(23-15)28-12-11-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,24,26)