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

Systemtic Name: propyl 2-[(3-bromanyl-6-oxidanylidene-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate chloride Openeye Name: propyl 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 propyl ester chloride IUPAC Name: propyl 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 propyl ester chloride Formula: C21H18BrClN4O3 MolecularWeight: 489.74962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4O3.ClH/c1-2-11-29-20(28)14-8-4-6-10-17(14)23-18-15(22)12-26-19(27)13-7-3-5-9-16(13)24-21(26)25-18;/h3-10,12H,2,11H2,1H3,(H,23,24,25,27,28);1H