2-[2,6-bis(fluoranyl)-3-pyrimidin-5-yl-phenyl]-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-ethanamide

Systemtic Name: 2-[2,6-bis(fluoranyl)-3-pyrimidin-5-yl-phenyl]-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2,6-difluoro-3-pyrimidin-5-yl-phenyl)-2-ethoxy-acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2,6-difluoro-3-(5-pyrimidinyl)phenyl]-2-ethoxyacetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2,6-difluoro-3-pyrimidin-5-ylphenyl)-2-ethoxyacetamide Traditional Name: N-(4-amidinobenzyl)-2-[2,6-difluoro-3-(5-pyrimidyl)phenyl]-2-ethoxy-acetamide Formula: C22H21F2N5O2 MolecularWeight: 425.431246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=C(C=CC(=C1F)C2=CN=CN=C2)F)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(C1=C(C=CC(=C1F)C2=CN=CN=C2)F)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H21F2N5O2/c1-2-31-20(22(30)29-9-13-3-5-14(6-4-13)21(25)26)18-17(23)8-7-16(19(18)24)15-10-27-12-28-11-15/h3-8,10-12,20H,2,9H2,1H3,(H3,25,26)(H,29,30)