2-[1-[2-(4-bromanylphenoxy)ethylsulfanyl]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-[2-(4-bromanylphenoxy)ethylsulfanyl]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[1-[2-(4-bromophenoxy)ethylsulfanyl]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[1-[2-(4-bromophenoxy)ethylthio]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[1-[2-(4-bromophenoxy)ethylsulfanyl]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[1-[2-(4-bromophenoxy)ethylthio]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19BrN2O2S2 MolecularWeight: 487.43246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)SCCOC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)SCCOC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H19BrN2O2S2/c1-14(28-12-11-27-17-9-7-16(23)8-10-17)20-24-21(26)19-18(13-29-22(19)25-20)15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H,24,25,26)