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

Systemtic Name: N-[4-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[4-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-3-fluoro-benzamide CAS Name: N-[4-[[4-(diethylamino)-6-methyl-2-pyrimidinyl]amino]phenyl]-3-fluorobenzamide IUPAC Name: N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide Traditional Name: N-[4-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-3-fluoro-benzamide Formula: C22H24FN5O MolecularWeight: 393.457263

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H24FN5O/c1-4-28(5-2)20-13-15(3)24-22(27-20)26-19-11-9-18(10-12-19)25-21(29)16-7-6-8-17(23)14-16/h6-14H,4-5H2,1-3H3,(H,25,29)(H,24,26,27)