2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-5-(4-fluorophenyl)-3-(2-methoxyethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-5-(4-fluorophenyl)-3-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-one Formula: C24H19FN2O5S2 MolecularWeight: 498.546463

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCO4)SC=C2C5=CC=C(C=C5)F

Isomeric SMILES

COCCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCO4)SC=C2C5=CC=C(C=C5)F

InChI

InChI=1S/C24H19FN2O5S2/c1-30-9-8-27-23(29)21-17(14-2-5-16(25)6-3-14)11-33-22(21)26-24(27)34-12-18(28)15-4-7-19-20(10-15)32-13-31-19/h2-7,10-11H,8-9,12-13H2,1H3