N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-[(6-methyl-4-pyrimidinyl)amino]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-4-morpholino-3-nitro-benzamide Formula: C22H22N6O4 MolecularWeight: 434.44788

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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)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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