6-bromanyl-2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-3-propyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 6-bromo-2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 6-bromo-2-[(2-methoxy-5-methylphenyl)methylthio]-3-propyl-4-quinazolinone IUPAC Name: 6-bromo-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 6-bromo-2-[(2-methoxy-5-methyl-benzyl)thio]-3-propyl-quinazolin-4-one Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=C(C=CC(=C3)C)OC

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C20H21BrN2O2S/c1-4-9-23-19(24)16-11-15(21)6-7-17(16)22-20(23)26-12-14-10-13(2)5-8-18(14)25-3/h5-8,10-11H,4,9,12H2,1-3H3