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

Systemtic Name: (4-bromophenyl)methyl 2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoate Openeye Name: (4-bromophenyl)methyl 2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetate CAS Name: 2-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate Traditional Name: 2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)acetic acid (4-bromobenzyl) ester Formula: C17H15BrN2O3S MolecularWeight: 407.2816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OCC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OCC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C17H15BrN2O3S/c1-10-11(2)24-16-15(10)17(22)20(9-19-16)7-14(21)23-8-12-3-5-13(18)6-4-12/h3-6,9H,7-8H2,1-2H3