3-(3-morpholin-4-ylpropyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ylpropyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-morpholinopropyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one CAS Name: 3-[3-(4-morpholinyl)propyl]-2-[1-(3-nitrophenyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(3-morpholin-4-ylpropyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-morpholinopropyl)-2-[1-(3-nitrophenyl)ethylthio]quinazolin-4-one Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

InChI

InChI=1S/C23H26N4O4S/c1-17(18-6-4-7-19(16-18)27(29)30)32-23-24-21-9-3-2-8-20(21)22(28)26(23)11-5-10-25-12-14-31-15-13-25/h2-4,6-9,16-17H,5,10-15H2,1H3