tert-butyl 3-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]pyrrolidine-1-carboxylate CAS Name: 3-[(5-bromo-2-chloro-4-pyrimidinyl)amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]pyrrolidine-1-carboxylate Traditional Name: 3-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C13H18BrClN4O2 MolecularWeight: 377.66462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)NC2=NC(=NC=C2Br)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)NC2=NC(=NC=C2Br)Cl

InChI

InChI=1S/C13H18BrClN4O2/c1-13(2,3)21-12(20)19-5-4-8(7-19)17-10-9(14)6-16-11(15)18-10/h6,8H,4-5,7H2,1-3H3,(H,16,17,18)