3-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholino-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-morpholinyl)-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-homoveratryl-6-morpholino-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C29H30N4O6S MolecularWeight: 562.6367

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C29H30N4O6S/c1-37-26-10-5-20(17-27(26)38-2)11-12-32-28(34)24-18-23(31-13-15-39-16-14-31)8-9-25(24)30-29(32)40-19-21-3-6-22(7-4-21)33(35)36/h3-10,17-18H,11-16,19H2,1-2H3