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

Systemtic Name: 3-[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(5-bromobenzofuran-2-yl)-2-oxo-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(5-bromo-2-benzofuranyl)-2-oxoethyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(5-bromobenzofuran-2-yl)-2-keto-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H13BrN2O3S MolecularWeight: 465.31922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13BrN2O3S/c23-15-6-7-18-14(8-15)9-19(28-18)17(26)10-25-12-24-21-20(22(25)27)16(11-29-21)13-4-2-1-3-5-13/h1-9,11-12H,10H2