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

Systemtic Name: 3-fluoranyl-N-[4-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]benzamide Openeye Name: 3-fluoro-N-[4-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]benzamide CAS Name: 3-fluoro-N-[4-[[2-methyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 3-fluoro-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide Traditional Name: 3-fluoro-N-[4-[(2-methyl-6-pyrrolidino-pyrimidin-4-yl)amino]phenyl]benzamide Formula: C22H22FN5O MolecularWeight: 391.441383

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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)F)N4CCCC4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F)N4CCCC4

InChI

InChI=1S/C22H22FN5O/c1-15-24-20(14-21(25-15)28-11-2-3-12-28)26-18-7-9-19(10-8-18)27-22(29)16-5-4-6-17(23)13-16/h4-10,13-14H,2-3,11-12H2,1H3,(H,27,29)(H,24,25,26)