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

Systemtic Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-phenylazanyl-methylidene]-4-fluoranyl-benzamide Openeye Name: N-[anilino-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]-4-fluoro-benzamide CAS Name: N-[anilino-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene]-4-fluorobenzamide IUPAC Name: N-[anilino-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-4-fluorobenzamide Traditional Name: N-[anilino-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]-4-fluoro-benzamide Formula: C20H18FN5O MolecularWeight: 363.388223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NC(=O)C2=CC=C(C=C2)F)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NC(=O)C2=CC=C(C=C2)F)NC3=CC=CC=C3)C

InChI

InChI=1S/C20H18FN5O/c1-13-12-14(2)23-19(22-13)26-20(24-17-6-4-3-5-7-17)25-18(27)15-8-10-16(21)11-9-15/h3-12H,1-2H3,(H2,22,23,24,25,26,27)