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

Systemtic Name: (phenylmethyl) 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C22H17BrN2O2S2 MolecularWeight: 485.41658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN2O2S2/c1-14(22(26)27-11-15-5-3-2-4-6-15)29-21-19-18(12-28-20(19)24-13-25-21)16-7-9-17(23)10-8-16/h2-10,12-14H,11H2,1H3