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

Systemtic Name: 3-butyl-6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-butyl-6-morpholino-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-butyl-6-(4-morpholinyl)-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-butyl-6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-butyl-6-morpholino-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4S/c1-2-3-10-26-22(28)20-15-19(25-11-13-31-14-12-25)8-9-21(20)24-23(26)32-16-17-4-6-18(7-5-17)27(29)30/h4-9,15H,2-3,10-14,16H2,1H3