N-(3,4-dimethoxyphenyl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[[6-oxo-5-(p-tolylsulfonyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(6-keto-5-tosyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H21N3O6S2/c1-13-4-7-15(8-5-13)32(27,28)18-11-22-21(24-20(18)26)31-12-19(25)23-14-6-9-16(29-2)17(10-14)30-3/h4-11H,12H2,1-3H3,(H,23,25)(H,22,24,26)