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

Systemtic Name: 7-chloranyl-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-propan-2-yl-quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-7-chloro-3-isopropyl-quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-7-chloro-3-propan-2-yl-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-7-chloro-3-propan-2-ylquinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-7-chloro-3-isopropyl-quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C21H21ClN2O3S/c1-12(2)24-20(26)17-7-6-16(22)10-18(17)23-21(24)28-11-15-9-14(13(3)25)5-8-19(15)27-4/h5-10,12H,11H2,1-4H3