N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-[(6-methyl-4-pyrimidinyl)amino]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H22N6O3 MolecularWeight: 418.44848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O3/c1-15-12-21(24-14-23-15)25-17-5-7-18(8-6-17)26-22(29)16-4-9-19(20(13-16)28(30)31)27-10-2-3-11-27/h4-9,12-14H,2-3,10-11H2,1H3,(H,26,29)(H,23,24,25)