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

Systemtic Name: 3-[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(benzofuran-2-yl)-2-oxo-ethyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(2-benzofuranyl)-2-oxoethyl]-5-(3-nitrophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(benzofuran-2-yl)-2-keto-ethyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H13N3O5S MolecularWeight: 431.42072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O5S/c26-17(19-9-14-4-1-2-7-18(14)30-19)10-24-12-23-21-20(22(24)27)16(11-31-21)13-5-3-6-15(8-13)25(28)29/h1-9,11-12H,10H2