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

Systemtic Name: 7-chloranyl-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-7-chloro-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-7-chloro-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-7-chloro-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-7-chloro-3-(3-methoxypropyl)quinazolin-4-one Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC

InChI

InChI=1S/C22H23ClN2O4S/c1-14(26)15-5-8-20(29-3)16(11-15)13-30-22-24-19-12-17(23)6-7-18(19)21(27)25(22)9-4-10-28-2/h5-8,11-12H,4,9-10,13H2,1-3H3