3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[(4-methoxyphenyl)methyl]-6-morpholino-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[(4-methoxyphenyl)methyl]-6-(4-morpholinyl)-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 6-morpholino-2-[(4-nitrobenzyl)thio]-3-p-anisyl-quinazolin-4-one Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O5S/c1-35-23-9-4-19(5-10-23)17-30-26(32)24-16-22(29-12-14-36-15-13-29)8-11-25(24)28-27(30)37-18-20-2-6-21(7-3-20)31(33)34/h2-11,16H,12-15,17-18H2,1H3