3-[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl]-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl]-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(5-bromobenzofuran-2-yl)-2-oxo-ethyl]-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(5-bromo-2-benzofuranyl)-2-oxoethyl]-5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(5-bromobenzofuran-2-yl)-2-keto-ethyl]-6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H19BrN2O4S MolecularWeight: 523.39836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)C4=CC5=C(O4)C=CC(=C5)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)C4=CC5=C(O4)C=CC(=C5)Br)C

InChI

InChI=1S/C25H19BrN2O4S/c1-3-31-18-7-4-15(5-8-18)22-14(2)33-24-23(22)25(30)28(13-27-24)12-19(29)21-11-16-10-17(26)6-9-20(16)32-21/h4-11,13H,3,12H2,1-2H3