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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[(4-methoxyphenyl)methyl]-6-morpholino-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[(4-methoxyphenyl)methyl]-6-(4-morpholinyl)-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 6-morpholino-2-[(3-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(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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