2-[[3-(4-fluorophenyl)carbonylsulfonyl-4-phenyl-phenyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[3-(4-fluorophenyl)carbonylsulfonyl-4-phenyl-phenyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[3-(4-fluorobenzoyl)sulfonyl-4-phenyl-phenyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[3-[(4-fluorophenyl)-oxomethyl]sulfonyl-4-phenylphenyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[3-(4-fluorobenzoyl)sulfonyl-4-phenylphenyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[3-(4-fluorobenzoyl)sulfonyl-4-phenyl-benzyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C26H17FN2O4S2 MolecularWeight: 504.552583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)CC3=NC4=C(C=CS4)C(=O)N3)S(=O)(=O)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)CC3=NC4=C(C=CS4)C(=O)N3)S(=O)(=O)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H17FN2O4S2/c27-19-9-7-18(8-10-19)26(31)35(32,33)22-14-16(6-11-20(22)17-4-2-1-3-5-17)15-23-28-24(30)21-12-13-34-25(21)29-23/h1-14H,15H2,(H,28,29,30)