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

Systemtic Name: butyl 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: butyl 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate CAS Name: 2-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]propanoic acid butyl ester IUPAC Name: butyl 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Traditional Name: 2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]propionic acid butyl ester Formula: C19H19BrN2O2S2 MolecularWeight: 451.40036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)SC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCOC(=O)C(C)SC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN2O2S2/c1-3-4-9-24-19(23)12(2)26-18-16-15(10-25-17(16)21-11-22-18)13-5-7-14(20)8-6-13/h5-8,10-12H,3-4,9H2,1-2H3