N-(2-fluoranyl-5-nitro-phenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-fluoranyl-5-nitro-phenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-fluoro-5-nitro-phenyl)-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-fluoro-5-nitrophenyl)-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-fluoro-5-nitrophenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-fluoro-5-nitro-phenyl)-2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]acetamide Formula: C21H19FN4O5S MolecularWeight: 458.462763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C21H19FN4O5S/c22-16-8-7-13(26(29)30)10-18(16)23-19(27)12-32-21-24-17-6-2-1-5-15(17)20(28)25(21)11-14-4-3-9-31-14/h1-2,5-8,10,14H,3-4,9,11-12H2,(H,23,27)