1-[2-[6,8-bis(bromanyl)-2-ethyl-4-oxidanylidene-quinazolin-3-yl]ethyl]-1-ethyl-3-phenylsulfanyl-urea

Systemtic Name: 1-[2-[6,8-bis(bromanyl)-2-ethyl-4-oxidanylidene-quinazolin-3-yl]ethyl]-1-ethyl-3-phenylsulfanyl-urea Openeye Name: 1-[2-(6,8-dibromo-2-ethyl-4-oxo-quinazolin-3-yl)ethyl]-1-ethyl-3-phenylsulfanyl-urea CAS Name: 1-[2-(6,8-dibromo-2-ethyl-4-oxo-3-quinazolinyl)ethyl]-1-ethyl-3-(phenylthio)urea IUPAC Name: 1-[2-(6,8-dibromo-2-ethyl-4-oxoquinazolin-3-yl)ethyl]-1-ethyl-3-phenylsulfanylurea Traditional Name: 1-[2-(6,8-dibromo-2-ethyl-4-keto-quinazolin-3-yl)ethyl]-1-ethyl-3-(phenylthio)urea Formula: C21H22Br2N4O2S MolecularWeight: 554.29798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2C(=O)N1CCN(CC)C(=O)NSC3=CC=CC=C3)Br)Br

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2C(=O)N1CCN(CC)C(=O)NSC3=CC=CC=C3)Br)Br

InChI

InChI=1S/C21H22Br2N4O2S/c1-3-18-24-19-16(12-14(22)13-17(19)23)20(28)27(18)11-10-26(4-2)21(29)25-30-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,25,29)