tert-butyl 4-[[4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenoxy]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-[(4-anilino-5-bromo-2-pyrimidinyl)amino]phenoxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H32BrN5O3 MolecularWeight: 554.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br

InChI

InChI=1S/C27H32BrN5O3/c1-27(2,3)36-26(34)33-15-13-19(14-16-33)18-35-22-11-9-21(10-12-22)31-25-29-17-23(28)24(32-25)30-20-7-5-4-6-8-20/h4-12,17,19H,13-16,18H2,1-3H3,(H2,29,30,31,32)