tert-butyl N-[3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonylphenyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[3-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C20H24BrN5O3 MolecularWeight: 462.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

InChI

InChI=1S/C20H24BrN5O3/c1-20(2,3)29-19(28)24-16-6-4-5-14(11-16)17(27)25-7-9-26(10-8-25)18-22-12-15(21)13-23-18/h4-6,11-13H,7-10H2,1-3H3,(H,24,28)