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

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)-N-(4-iodo-2-methyl-phenyl)acetamide CAS Name: N-(4-iodo-2-methylphenyl)-2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)-N-(4-iodo-2-methylphenyl)acetamide Traditional Name: 2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C21H20IN3O2S MolecularWeight: 505.37187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20IN3O2S/c1-14-10-17(22)8-9-18(14)24-19(26)12-25-20(27)11-15(2)23-21(25)28-13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,24,26)