N-[4-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]-2-nitro-benzamide

Systemtic Name: N-[4-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]-2-nitro-benzamide Openeye Name: N-[4-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]-2-nitro-benzamide CAS Name: N-[4-[[2-methyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]phenyl]-2-nitrobenzamide IUPAC Name: N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-nitrobenzamide Traditional Name: N-[4-[(2-methyl-6-pyrrolidino-pyrimidin-4-yl)amino]phenyl]-2-nitro-benzamide Formula: C22H22N6O3 MolecularWeight: 418.44848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C22H22N6O3/c1-15-23-20(14-21(24-15)27-12-4-5-13-27)25-16-8-10-17(11-9-16)26-22(29)18-6-2-3-7-19(18)28(30)31/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,26,29)(H,23,24,25)