ethyl 2-[(3-bromanyl-6-oxidanylidene-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoate chloride

Systemtic Name: ethyl 2-[(3-bromanyl-6-oxidanylidene-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoate chloride Openeye Name: ethyl 2-[(3-bromo-6-oxo-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoate chloride CAS Name: 2-[(3-bromo-6-oxo-2-pyrimido[2,1-b]quinazolinyl)amino]benzoic acid ethyl ester chloride IUPAC Name: ethyl 2-[(3-bromo-6-oxopyrimido[2,1-b]quinazolin-2-yl)amino]benzoate chloride Traditional Name: 2-[(3-bromo-6-keto-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoic acid ethyl ester chloride Formula: C20H15BrClN4O3- MolecularWeight: 474.7151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=NC3=NC4=CC=CC=C4C(=O)N3C=C2Br.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=NC3=NC4=CC=CC=C4C(=O)N3C=C2Br.[Cl-]

InChI

InChI=1S/C20H15BrN4O3.ClH/c1-2-28-19(27)13-8-4-6-10-16(13)22-17-14(21)11-25-18(26)12-7-3-5-9-15(12)23-20(25)24-17;/h3-11H,2H2,1H3,(H,22,23,24);1H/p-1