2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[5-(4-bromophenyl)-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]-N-(4-nitrophenyl)acetamide Formula: C22H17BrN4O4S MolecularWeight: 513.36378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN4O4S/c1-2-17-19(13-3-5-14(23)6-4-13)20-21(32-17)24-12-26(22(20)29)11-18(28)25-15-7-9-16(10-8-15)27(30)31/h3-10,12H,2,11H2,1H3,(H,25,28)