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

Systemtic Name: 3-[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(5-bromobenzofuran-2-yl)-2-oxo-ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(5-bromo-2-benzofuranyl)-2-oxoethyl]-5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(5-bromobenzofuran-2-yl)-2-keto-ethyl]-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H12Br2N2O3S MolecularWeight: 544.21528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=C2C(=O)N(C=N3)CC(=O)C4=CC5=C(O4)C=CC(=C5)Br)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=C2C(=O)N(C=N3)CC(=O)C4=CC5=C(O4)C=CC(=C5)Br)Br

InChI

InChI=1S/C22H12Br2N2O3S/c23-14-3-1-12(2-4-14)16-10-30-21-20(16)22(28)26(11-25-21)9-17(27)19-8-13-7-15(24)5-6-18(13)29-19/h1-8,10-11H,9H2