tert-butyl N-[3-[4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenyl]prop-2-ynyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenyl]prop-2-ynyl]carbamate Openeye Name: tert-butyl N-[3-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenyl]prop-2-ynyl]carbamate CAS Name: N-[3-[4-[(4-anilino-5-bromo-2-pyrimidinyl)amino]phenyl]prop-2-ynyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenyl]prop-2-ynyl]carbamate Traditional Name: N-[3-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenyl]prop-2-ynyl]carbamic acid tert-butyl ester Formula: C24H24BrN5O2 MolecularWeight: 494.38366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC#CC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)NCC#CC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

InChI

InChI=1S/C24H24BrN5O2/c1-24(2,3)32-23(31)26-15-7-8-17-11-13-19(14-12-17)29-22-27-16-20(25)21(30-22)28-18-9-5-4-6-10-18/h4-6,9-14,16H,15H2,1-3H3,(H,26,31)(H2,27,28,29,30)