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

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[(2-methoxy-5-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[(2-methoxy-5-nitro-benzyl)thio]quinazolin-4-one Formula: C19H19N3O5S MolecularWeight: 401.43626

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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)N2CCCO

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C19H19N3O5S/c1-27-17-8-7-14(22(25)26)11-13(17)12-28-19-20-16-6-3-2-5-15(16)18(24)21(19)9-4-10-23/h2-3,5-8,11,23H,4,9-10,12H2,1H3