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

Systemtic Name: N-[3-[[5-bromanyl-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]benzamide Openeye Name: N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]benzamide Traditional Name: N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]benzamide Formula: C22H20BrN7O MolecularWeight: 478.3445

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br

InChI

InChI=1S/C22H20BrN7O/c23-19-13-26-22(30-20(19)25-10-9-18-12-24-14-27-18)29-17-8-4-7-16(11-17)28-21(31)15-5-2-1-3-6-15/h1-8,11-14H,9-10H2,(H,24,27)(H,28,31)(H2,25,26,29,30)