4-bromanyl-N-[4-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 4-bromanyl-N-[4-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-bromo-N-[4-[(4-methyl-6-morpholino-pyrimidin-2-yl)amino]phenyl]benzamide CAS Name: 4-bromo-N-[4-[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-bromo-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-bromo-N-[4-[(4-methyl-6-morpholino-pyrimidin-2-yl)amino]phenyl]benzamide Formula: C22H22BrN5O2 MolecularWeight: 468.34638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)N4CCOCC4

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)N4CCOCC4

InChI

InChI=1S/C22H22BrN5O2/c1-15-14-20(28-10-12-30-13-11-28)27-22(24-15)26-19-8-6-18(7-9-19)25-21(29)16-2-4-17(23)5-3-16/h2-9,14H,10-13H2,1H3,(H,25,29)(H,24,26,27)