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

Systemtic Name: 2-[[5-(4-bromophenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]-N-(3,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-[(5-brosyl-6-keto-1H-pyrimidin-2-yl)thio]-N-(3,5-dimethoxyphenyl)acetamide Formula: C20H18BrN3O6S2 MolecularWeight: 540.40742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C20H18BrN3O6S2/c1-29-14-7-13(8-15(9-14)30-2)23-18(25)11-31-20-22-10-17(19(26)24-20)32(27,28)16-5-3-12(21)4-6-16/h3-10H,11H2,1-2H3,(H,23,25)(H,22,24,26)