3-(3-morpholin-4-ylpropyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ylpropyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-morpholinopropyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[3-(4-morpholinyl)propyl]-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-morpholin-4-ylpropyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-morpholinopropyl)-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4S/c27-21-19-4-1-2-5-20(19)23-22(25(21)11-3-10-24-12-14-30-15-13-24)31-16-17-6-8-18(9-7-17)26(28)29/h1-2,4-9H,3,10-16H2