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

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 5-bromanylpyridine-3-carboxylate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic 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 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C16H14BrN3O3S MolecularWeight: 408.26966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O3S/c1-7-9(3)24-15-12(7)14(21)19-13(20-15)8(2)23-16(22)10-4-11(17)6-18-5-10/h4-6,8H,1-3H3,(H,19,20,21)