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

Systemtic Name: 3-[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(5-bromobenzofuran-2-yl)-2-oxo-ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(5-bromo-2-benzofuranyl)-2-oxoethyl]-5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(5-bromobenzofuran-2-yl)-2-keto-ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one Formula: C23H15BrN2O4S MolecularWeight: 495.3452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)C4=CC5=C(O4)C=CC(=C5)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)C4=CC5=C(O4)C=CC(=C5)Br

InChI

InChI=1S/C23H15BrN2O4S/c1-29-16-5-2-13(3-6-16)17-11-31-22-21(17)23(28)26(12-25-22)10-18(27)20-9-14-8-15(24)4-7-19(14)30-20/h2-9,11-12H,10H2,1H3