1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-(3-bromanylphenoxy)ethanoate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester IUPAC Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)COC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)COC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C18H17BrN2O4S/c1-9-11(3)26-18-15(9)17(23)20-16(21-18)10(2)25-14(22)8-24-13-6-4-5-12(19)7-13/h4-7,10H,8H2,1-3H3,(H,20,21,23)