(phenylmethyl) 2-[5-(4-bromophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[5-(4-bromophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: benzyl 2-[5-(4-bromophenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-bromophenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(4-bromophenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]acetic acid benzyl ester Formula: C22H17BrN2O3S MolecularWeight: 469.35098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

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