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

Systemtic Name: propyl 2-[(3-bromanyl-6-oxidanylidene-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate Openeye Name: propyl 2-[(3-bromo-6-oxo-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate CAS Name: 2-[(3-bromo-6-oxo-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoic acid propyl ester IUPAC Name: propyl 2-[(3-bromo-6-oxo-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate Traditional Name: 2-[(3-bromo-6-keto-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoic acid propyl ester Formula: C21H18BrN4O3+ MolecularWeight: 454.29662

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4O3/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)/p+1