2-[4-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C22H20BrN3O3S MolecularWeight: 486.3815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H20BrN3O3S/c1-2-25-21(29)17-13-14(23)9-10-18(17)24-22(25)30-12-6-5-11-26-19(27)15-7-3-4-8-16(15)20(26)28/h3-4,7-10,13H,2,5-6,11-12H2,1H3