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

Systemtic Name: N-[2,4-bis[(4-ethoxyphenyl)amino]-6-methyl-pyrimidin-5-yl]-3-fluoranyl-benzamide Openeye Name: N-[2,4-bis(4-ethoxyanilino)-6-methyl-pyrimidin-5-yl]-3-fluoro-benzamide CAS Name: N-[2,4-bis(4-ethoxyanilino)-6-methyl-5-pyrimidinyl]-3-fluorobenzamide IUPAC Name: N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]-3-fluorobenzamide Traditional Name: 3-fluoro-N-[4-methyl-2,6-bis(p-phenetidino)pyrimidin-5-yl]benzamide Formula: C28H28FN5O3 MolecularWeight: 501.552023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2NC(=O)C3=CC(=CC=C3)F)C)NC4=CC=C(C=C4)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2NC(=O)C3=CC(=CC=C3)F)C)NC4=CC=C(C=C4)OCC

InChI

InChI=1S/C28H28FN5O3/c1-4-36-23-13-9-21(10-14-23)31-26-25(33-27(35)19-7-6-8-20(29)17-19)18(3)30-28(34-26)32-22-11-15-24(16-12-22)37-5-2/h6-17H,4-5H2,1-3H3,(H,33,35)(H2,30,31,32,34)