3-(furan-2-ylmethyl)-6,7-dimethoxy-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(furan-2-ylmethyl)-6,7-dimethoxy-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2-furylmethyl)-6,7-dimethoxy-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(2-furanylmethyl)-6,7-dimethoxy-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(furan-2-ylmethyl)-6,7-dimethoxy-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2-furfuryl)-6,7-dimethoxy-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CO4)OC

InChI

InChI=1S/C22H19N3O6S/c1-29-19-10-17-18(11-20(19)30-2)23-22(24(21(17)26)12-16-7-4-8-31-16)32-13-14-5-3-6-15(9-14)25(27)28/h3-11H,12-13H2,1-2H3