2-[(4-azanylquinazolin-7-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-methylsulfonyl-ethanamide; ethanoyl fluoride

Systemtic Name: 2-[(4-azanylquinazolin-7-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-methylsulfonyl-ethanamide; ethanoyl fluoride Openeye Name: acetyl fluoride; 2-[(4-aminoquinazolin-7-yl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-methylsulfonyl-acetamide CAS Name: acetyl fluoride; 2-[(4-amino-7-quinazolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-methylsulfonylacetamide IUPAC Name: acetyl fluoride; 2-[(4-aminoquinazolin-7-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-methylsulfonylacetamide Traditional Name: acetyl fluoride; 2-[(4-aminoquinazolin-7-yl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-mesyl-acetamide Formula: C28H36F3N5O8S MolecularWeight: 659.67435

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C)NC2=CC3=C(C=C2)C(=NC=N3)N)OC(C)C.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C)NC2=CC3=C(C=C2)C(=NC=N3)N)OC(C)C.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C22H27N5O5S.3C2H3FO/c1-5-31-19-10-14(6-9-18(19)32-13(2)3)20(22(28)27-33(4,29)30)26-15-7-8-16-17(11-15)24-12-25-21(16)23;3*1-2(3)4/h6-13,20,26H,5H2,1-4H3,(H,27,28)(H2,23,24,25);3*1H3