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

Systemtic Name: N-[4-[[4-(ethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[[4-(ethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[4-(ethylamino)-6-methyl-2-pyrimidinyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[4-(ethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-2-fluoro-benzamide Formula: C20H20FN5O MolecularWeight: 365.404103

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=C1)C)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCNC1=NC(=NC(=C1)C)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H20FN5O/c1-3-22-18-12-13(2)23-20(26-18)25-15-10-8-14(9-11-15)24-19(27)16-6-4-5-7-17(16)21/h4-12H,3H2,1-2H3,(H,24,27)(H2,22,23,25,26)