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

Systemtic Name: 7-chloranyl-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-7-chloro-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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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)N2CCOC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

InChI

InChI=1S/C21H21ClN2O4S/c1-13(25)14-4-7-19(28-3)15(10-14)12-29-21-23-18-11-16(22)5-6-17(18)20(26)24(21)8-9-27-2/h4-7,10-11H,8-9,12H2,1-3H3