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

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-bromanyl-3-nitro-benzoate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic 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 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C17H14BrN3O5S MolecularWeight: 452.27916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-])C

InChI

InChI=1S/C17H14BrN3O5S/c1-7-9(3)27-16-13(7)15(22)19-14(20-16)8(2)26-17(23)10-4-5-11(18)12(6-10)21(24)25/h4-6,8H,1-3H3,(H,19,20,22)