6-bromanyl-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-propyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 6-bromo-2-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 6-bromo-2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-propyl-4-quinazolinone IUPAC Name: 6-bromo-2-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 6-bromo-2-[(2-keto-7-methoxy-chromen-4-yl)methylthio]-3-propyl-quinazolin-4-one Formula: C22H19BrN2O4S MolecularWeight: 487.36626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C22H19BrN2O4S/c1-3-8-25-21(27)17-10-14(23)4-7-18(17)24-22(25)30-12-13-9-20(26)29-19-11-15(28-2)5-6-16(13)19/h4-7,9-11H,3,8,12H2,1-2H3