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

Systemtic Name: 3-(2-morpholin-4-ylethyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2-morpholinoethyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(4-morpholinyl)ethyl]-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(2-morpholin-4-ylethyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2-morpholinoethyl)-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c26-20-18-6-1-2-7-19(18)22-21(24(20)9-8-23-10-12-29-13-11-23)30-15-16-4-3-5-17(14-16)25(27)28/h1-7,14H,8-13,15H2