7-chloranyl-3-(3-ethoxypropyl)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3-ethoxypropyl)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(3-ethoxypropyl)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(3-ethoxypropyl)-2-[(2-methoxy-5-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-ethoxypropyl)-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-(3-ethoxypropyl)-2-[(2-methoxy-5-nitro-benzyl)thio]quinazolin-4-one Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22ClN3O5S/c1-3-30-10-4-9-24-20(26)17-7-5-15(22)12-18(17)23-21(24)31-13-14-11-16(25(27)28)6-8-19(14)29-2/h5-8,11-12H,3-4,9-10,13H2,1-2H3