O3-tert-butyl O1-methyl 2-(5-bromanylpyrimidin-2-yl)propanedioate

Systemtic Name: O3-tert-butyl O1-methyl 2-(5-bromanylpyrimidin-2-yl)propanedioate Openeye Name: O1-tert-butyl O3-methyl 2-(5-bromopyrimidin-2-yl)propanedioate CAS Name: 2-(5-bromo-2-pyrimidinyl)propanedioic acid O3-tert-butyl ester O1-methyl ester IUPAC Name: 3-O-tert-butyl 1-O-methyl 2-(5-bromopyrimidin-2-yl)propanedioate Traditional Name: 2-(5-bromopyrimidin-2-yl)malonic acid O1-tert-butyl ester O3-methyl ester Formula: C12H15BrN2O4 MolecularWeight: 331.1625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=NC=C(C=N1)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=NC=C(C=N1)Br)C(=O)OC

InChI

InChI=1S/C12H15BrN2O4/c1-12(2,3)19-11(17)8(10(16)18-4)9-14-5-7(13)6-15-9/h5-6,8H,1-4H3