2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]ethanamide Openeye Name: 2-(6-fluoro-4-oxo-quinazolin-3-yl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]acetamide CAS Name: 2-(6-fluoro-4-oxo-3-quinazolinyl)-N-[4-(3-pyridinylmethylthio)phenyl]acetamide IUPAC Name: 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide Traditional Name: 2-(6-fluoro-4-keto-quinazolin-3-yl)-N-[4-(3-pyridylmethylthio)phenyl]acetamide Formula: C22H17FN4O2S MolecularWeight: 420.459383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

Isomeric SMILES

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

InChI

InChI=1S/C22H17FN4O2S/c23-16-3-8-20-19(10-16)22(29)27(14-25-20)12-21(28)26-17-4-6-18(7-5-17)30-13-15-2-1-9-24-11-15/h1-11,14H,12-13H2,(H,26,28)