N-[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]-4-morpholino-3-nitro-benzamide Formula: C28H26N6O4 MolecularWeight: 510.54384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H26N6O4/c1-19-29-24(20-5-3-2-4-6-20)18-27(30-19)31-22-8-10-23(11-9-22)32-28(35)21-7-12-25(26(17-21)34(36)37)33-13-15-38-16-14-33/h2-12,17-18H,13-16H2,1H3,(H,32,35)(H,29,30,31)