5-(4-bromophenyl)-2-[2-(4-methylphenoxy)ethylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-2-[2-(4-methylphenoxy)ethylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-2-[2-(4-methylphenoxy)ethylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-2-[[2-(4-methylphenoxy)ethylthio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-2-[2-(4-methylphenoxy)ethylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-2-[[2-(4-methylphenoxy)ethylthio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19BrN2O2S2 MolecularWeight: 487.43246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCSCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)OCCSCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2

InChI

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