butyl 2-[(3-bromanyl-6-oxidanylidene-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate chloride

Systemtic Name: butyl 2-[(3-bromanyl-6-oxidanylidene-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate chloride Openeye Name: butyl 2-[(3-bromo-6-oxo-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate chloride CAS Name: 2-[(3-bromo-6-oxo-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoic acid butyl ester chloride IUPAC Name: butyl 2-[(3-bromo-6-oxo-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate chloride Traditional Name: 2-[(3-bromo-6-keto-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoic acid butyl ester chloride Formula: C22H20BrClN4O3 MolecularWeight: 503.7762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC2=NC3=[N+](C=C2Br)C(=O)C4=CC=CC=C4N3.[Cl-]

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC2=NC3=[N+](C=C2Br)C(=O)C4=CC=CC=C4N3.[Cl-]

InChI

InChI=1S/C22H19BrN4O3.ClH/c1-2-3-12-30-21(29)15-9-5-7-11-18(15)24-19-16(23)13-27-20(28)14-8-4-6-10-17(14)25-22(27)26-19;/h4-11,13H,2-3,12H2,1H3,(H,24,25,26,28,29);1H