N-[[(4,6-dimethylpyrimidin-2-yl)amino]-[(4-ethylphenyl)amino]methylidene]-4-fluoranyl-benzamide

Systemtic Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-[(4-ethylphenyl)amino]methylidene]-4-fluoranyl-benzamide Openeye Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(4-ethylanilino)methylene]-4-fluoro-benzamide CAS Name: N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-(4-ethylanilino)methylidene]-4-fluorobenzamide IUPAC Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(4-ethylanilino)methylidene]-4-fluorobenzamide Traditional Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(4-ethylanilino)methylene]-4-fluoro-benzamide Formula: C22H22FN5O MolecularWeight: 391.441383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=NC(=O)C2=CC=C(C=C2)F)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=NC(=O)C2=CC=C(C=C2)F)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H22FN5O/c1-4-16-5-11-19(12-6-16)26-22(28-21-24-14(2)13-15(3)25-21)27-20(29)17-7-9-18(23)10-8-17/h5-13H,4H2,1-3H3,(H2,24,25,26,27,28,29)