N-[4-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide CAS Name: N-[4-[[2-methyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-nitrobenzamide Traditional Name: N-[4-[(2-methyl-6-pyrrolidino-pyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide Formula: C22H22N6O3 MolecularWeight: 418.44848

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