N-(4-iodanyl-2-methyl-phenyl)-2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-iodo-2-methyl-phenyl)acetamide CAS Name: N-(4-iodo-2-methylphenyl)-2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide Traditional Name: 2-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C21H20IN3O2S MolecularWeight: 505.37187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3

InChI

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