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

Systemtic Name: (phenylmethyl) 2-[5-(4-bromophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: benzyl 2-[5-(4-bromophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-bromophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(4-bromophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetic acid benzyl ester Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrN2O3S/c22-16-8-6-15(7-9-16)17-12-28-20-19(17)21(26)24(13-23-20)10-18(25)27-11-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2