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

Systemtic Name: 3-butyl-6-morpholin-4-yl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-butyl-6-morpholino-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-butyl-6-(4-morpholinyl)-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-butyl-6-morpholin-4-yl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-butyl-6-morpholino-2-[(3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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