tert-butyl 3-[[2-(5-bromanylpyrimidin-2-yl)oxyethanoylamino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-(5-bromanylpyrimidin-2-yl)oxyethanoylamino]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[[[2-(5-bromopyrimidin-2-yl)oxyacetyl]amino]methyl]pyrrolidine-1-carboxylate CAS Name: 3-[[[2-[(5-bromo-2-pyrimidinyl)oxy]-1-oxoethyl]amino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[[2-(5-bromopyrimidin-2-yl)oxyacetyl]amino]methyl]pyrrolidine-1-carboxylate Traditional Name: 3-[[[2-(5-bromopyrimidin-2-yl)oxyacetyl]amino]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H23BrN4O4 MolecularWeight: 415.28222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)CNC(=O)COC2=NC=C(C=N2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)CNC(=O)COC2=NC=C(C=N2)Br

InChI

InChI=1S/C16H23BrN4O4/c1-16(2,3)25-15(23)21-5-4-11(9-21)6-18-13(22)10-24-14-19-7-12(17)8-20-14/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,22)