2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-[3-(methylthio)phenyl]acetamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H21N3O2S2/c1-14-18(12-19(25)23-16-9-6-10-17(11-16)27-2)20(26)24-21(22-14)28-13-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,23,25)(H,22,24,26)