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

Systemtic Name: (phenylmethyl) 2-[5-(4-bromophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: benzyl 2-[5-(4-bromophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[5-(4-bromophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[5-(4-bromophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionic acid benzyl ester Formula: C22H17BrN2O3S MolecularWeight: 469.35098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN2O3S/c1-14(22(27)28-11-15-5-3-2-4-6-15)25-13-24-20-19(21(25)26)18(12-29-20)16-7-9-17(23)10-8-16/h2-10,12-14H,11H2,1H3