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

Systemtic Name: 2-[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(5-bromobenzofuran-2-yl)-2-oxo-ethyl]sulfanyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(5-bromo-2-benzofuranyl)-2-oxoethyl]thio]-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(5-bromobenzofuran-2-yl)-2-keto-ethyl]thio]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H15BrN2O3S2 MolecularWeight: 511.4108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)C4=CC5=C(O4)C=CC(=C5)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)C4=CC5=C(O4)C=CC(=C5)Br

InChI

InChI=1S/C23H15BrN2O3S2/c1-12-2-4-13(5-3-12)16-10-30-22-20(16)21(28)25-23(26-22)31-11-17(27)19-9-14-8-15(24)6-7-18(14)29-19/h2-10H,11H2,1H3,(H,25,26,28)