N-[2,4-bis[(4-ethylphenyl)amino]-6-methyl-pyrimidin-5-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[2,4-bis[(4-ethylphenyl)amino]-6-methyl-pyrimidin-5-yl]-3-fluoranyl-benzamide Openeye Name: N-[2,4-bis(4-ethylanilino)-6-methyl-pyrimidin-5-yl]-3-fluoro-benzamide CAS Name: N-[2,4-bis(4-ethylanilino)-6-methyl-5-pyrimidinyl]-3-fluorobenzamide IUPAC Name: N-[2,4-bis(4-ethylanilino)-6-methylpyrimidin-5-yl]-3-fluorobenzamide Traditional Name: N-[2,4-bis(4-ethylanilino)-6-methyl-pyrimidin-5-yl]-3-fluoro-benzamide Formula: C28H28FN5O MolecularWeight: 469.553223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC(=NC(=C2NC(=O)C3=CC(=CC=C3)F)C)NC4=CC=C(C=C4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC(=NC(=C2NC(=O)C3=CC(=CC=C3)F)C)NC4=CC=C(C=C4)CC

InChI

InChI=1S/C28H28FN5O/c1-4-19-9-13-23(14-10-19)31-26-25(33-27(35)21-7-6-8-22(29)17-21)18(3)30-28(34-26)32-24-15-11-20(5-2)12-16-24/h6-17H,4-5H2,1-3H3,(H,33,35)(H2,30,31,32,34)