2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-(3-morpholinopropyl)quinazolin-4-one CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylthio]-3-[3-(4-morpholinyl)propyl]-4-quinazolinone IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[(2-methoxy-5-nitro-benzyl)thio]-3-(3-morpholinopropyl)quinazolin-4-one Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

InChI

InChI=1S/C23H26N4O5S/c1-31-21-8-7-18(27(29)30)15-17(21)16-33-23-24-20-6-3-2-5-19(20)22(28)26(23)10-4-9-25-11-13-32-14-12-25/h2-3,5-8,15H,4,9-14,16H2,1H3