N-[3-[[5-bromanyl-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanamide

Systemtic Name: N-[3-[[5-bromanyl-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanamide Openeye Name: N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide CAS Name: N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]-2-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide Traditional Name: N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide Formula: C17H18BrN7O MolecularWeight: 416.27512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC2=NC=C(C(=N2)NCCC3=CN=CN3)Br

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC2=NC=C(C(=N2)NCCC3=CN=CN3)Br

InChI

InChI=1S/C17H18BrN7O/c1-11(26)23-12-3-2-4-13(7-12)24-17-21-9-15(18)16(25-17)20-6-5-14-8-19-10-22-14/h2-4,7-10H,5-6H2,1H3,(H,19,22)(H,23,26)(H2,20,21,24,25)