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

Systemtic Name: 3-(4-fluorophenyl)-2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(4-fluorophenyl)-2-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(4-fluorophenyl)-2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]thieno[3,2-d]pyrimidin-4-one Formula: C22H13FN2O4S2 MolecularWeight: 452.478023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)O)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)O)F

InChI

InChI=1S/C22H13FN2O4S2/c23-13-1-3-14(4-2-13)25-21(28)20-17(7-8-30-20)24-22(25)31-11-12-9-19(27)29-18-10-15(26)5-6-16(12)18/h1-10,26H,11H2