N-[2-(tert-butylsulfanylmethyl)-7-fluoranyl-4-oxidanylidene-quinazolin-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[2-(tert-butylsulfanylmethyl)-7-fluoranyl-4-oxidanylidene-quinazolin-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-(tert-butylsulfanylmethyl)-7-fluoro-4-oxo-quinazolin-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[(tert-butylthio)methyl]-7-fluoro-4-oxo-3-quinazolinyl]-2-phenylacetamide IUPAC Name: N-[2-(tert-butylsulfanylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide Traditional Name: N-[2-[(tert-butylthio)methyl]-7-fluoro-4-keto-quinazolin-3-yl]-2-phenyl-acetamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=NC2=C(C=CC(=C2)F)C(=O)N1NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)SCC1=NC2=C(C=CC(=C2)F)C(=O)N1NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22FN3O2S/c1-21(2,3)28-13-18-23-17-12-15(22)9-10-16(17)20(27)25(18)24-19(26)11-14-7-5-4-6-8-14/h4-10,12H,11,13H2,1-3H3,(H,24,26)