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

Systemtic Name: 3-bromanyl-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 3-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzamide CAS Name: 3-bromo-N-[4-[[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 3-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 3-bromo-N-[4-[(4-methyl-6-pyrrolidino-pyrimidin-2-yl)amino]phenyl]benzamide Formula: C22H22BrN5O MolecularWeight: 452.34698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN5O/c1-15-13-20(28-11-2-3-12-28)27-22(24-15)26-19-9-7-18(8-10-19)25-21(29)16-5-4-6-17(23)14-16/h4-10,13-14H,2-3,11-12H2,1H3,(H,25,29)(H,24,26,27)