3-[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(5-bromobenzofuran-2-yl)-2-oxo-ethyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(5-bromo-2-benzofuranyl)-2-oxoethyl]-5-(3-nitrophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(5-bromobenzofuran-2-yl)-2-keto-ethyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H12BrN3O5S MolecularWeight: 510.31678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=C2C(=O)N(C=N3)CC(=O)C4=CC5=C(O4)C=CC(=C5)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=C2C(=O)N(C=N3)CC(=O)C4=CC5=C(O4)C=CC(=C5)Br

InChI

InChI=1S/C22H12BrN3O5S/c23-14-4-5-18-13(6-14)8-19(31-18)17(27)9-25-11-24-21-20(22(25)28)16(10-32-21)12-2-1-3-15(7-12)26(29)30/h1-8,10-11H,9H2