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

Systemtic Name: methyl 2-[(3-bromanyl-6-oxidanylidene-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate chloride Openeye Name: methyl 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 methyl ester chloride IUPAC Name: methyl 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 methyl ester chloride Formula: C19H14BrClN4O3 MolecularWeight: 461.69646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrN4O3.ClH/c1-27-18(26)12-7-3-5-9-15(12)21-16-13(20)10-24-17(25)11-6-2-4-8-14(11)22-19(24)23-16;/h2-10H,1H3,(H,21,22,23,25,26);1H