3-(3-fluorophenyl)-7-morpholin-4-ylcarbonyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-fluorophenyl)-7-morpholin-4-ylcarbonyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-fluorophenyl)-7-[4-morpholinyl(oxo)methyl]-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C26H21FN4O5S MolecularWeight: 520.532143

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC(=CC=C5)F

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC(=CC=C5)F

InChI

InChI=1S/C26H21FN4O5S/c27-19-2-1-3-21(15-19)30-25(33)22-9-6-18(24(32)29-10-12-36-13-11-29)14-23(22)28-26(30)37-16-17-4-7-20(8-5-17)31(34)35/h1-9,14-15H,10-13,16H2