2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-5-(4-fluorophenyl)-3-methyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-5-(4-fluorophenyl)-3-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-5-(4-fluorophenyl)-3-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-5-(4-fluorophenyl)-3-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-5-(4-fluorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylthio]-5-(4-fluorophenyl)-3-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H19FN2O4S2 MolecularWeight: 494.557763

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3C)O

InChI

InChI=1S/C25H19FN2O4S2/c1-3-13-8-17-15(9-21(30)32-20(17)10-19(13)29)11-34-25-27-23-22(24(31)28(25)2)18(12-33-23)14-4-6-16(26)7-5-14/h4-10,12,29H,3,11H2,1-2H3