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

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]propionamide Formula: C22H21FN4O5S MolecularWeight: 472.489343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C22H21FN4O5S/c1-13(20(28)24-14-8-9-17(23)19(11-14)27(30)31)33-22-25-18-7-3-2-6-16(18)21(29)26(22)12-15-5-4-10-32-15/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3,(H,24,28)