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

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-(4-bromanylphenoxy)propanoate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic 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-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C(C)OC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C(C)OC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C19H19BrN2O4S/c1-9-12(4)27-18-15(9)17(23)21-16(22-18)10(2)26-19(24)11(3)25-14-7-5-13(20)6-8-14/h5-8,10-11H,1-4H3,(H,21,22,23)