2-[5-(4-bromophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: 2-[5-(4-bromophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: 2-[5-(4-bromophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]-N-(p-tolylsulfonyl)acetamide CAS Name: 2-[5-(4-bromophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]-N-(4-methylphenyl)sulfonylacetamide IUPAC Name: 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-methylphenyl)sulfonylacetamide Traditional Name: 2-[5-(4-bromophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]-N-tosyl-acetamide Formula: C21H16BrN3O4S2 MolecularWeight: 518.40344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O4S2/c1-13-2-8-16(9-3-13)31(28,29)24-18(26)10-25-12-23-20-19(21(25)27)17(11-30-20)14-4-6-15(22)7-5-14/h2-9,11-12H,10H2,1H3,(H,24,26)