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

Systemtic Name: N-[4-[(2-methyl-6-morpholin-4-yl-pyrimidin-4-yl)amino]phenyl]-2-nitro-benzamide Openeye Name: N-[4-[(2-methyl-6-morpholino-pyrimidin-4-yl)amino]phenyl]-2-nitro-benzamide CAS Name: N-[4-[[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]amino]phenyl]-2-nitrobenzamide IUPAC Name: N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-nitrobenzamide Traditional Name: N-[4-[(2-methyl-6-morpholino-pyrimidin-4-yl)amino]phenyl]-2-nitro-benzamide Formula: C22H22N6O4 MolecularWeight: 434.44788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H22N6O4/c1-15-23-20(14-21(24-15)27-10-12-32-13-11-27)25-16-6-8-17(9-7-16)26-22(29)18-4-2-3-5-19(18)28(30)31/h2-9,14H,10-13H2,1H3,(H,26,29)(H,23,24,25)