2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoate

Systemtic Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoate Openeye Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoate CAS Name: 2-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]butanoate IUPAC Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoate Traditional Name: 2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]butyrate Formula: C16H12BrN2O2S2- MolecularWeight: 408.31268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC(C(=O)[O-])SC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrN2O2S2/c1-2-12(16(20)21)23-15-13-11(7-22-14(13)18-8-19-15)9-3-5-10(17)6-4-9/h3-8,12H,2H2,1H3,(H,20,21)/p-1