2-[(3-bromanyl-6-oxidanylidene-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoic acid

Systemtic Name: 2-[(3-bromanyl-6-oxidanylidene-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoic acid Openeye Name: 2-[(3-bromo-6-oxo-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoic acid CAS Name: 2-[(3-bromo-6-oxo-2-pyrimido[2,1-b]quinazolinyl)amino]benzoic acid IUPAC Name: 2-[(3-bromo-6-oxopyrimido[2,1-b]quinazolin-2-yl)amino]benzoic acid Traditional Name: 2-[(3-bromo-6-keto-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoic acid Formula: C18H11BrN4O3 MolecularWeight: 411.20894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N3C=C(C(=NC3=N2)NC4=CC=CC=C4C(=O)O)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N3C=C(C(=NC3=N2)NC4=CC=CC=C4C(=O)O)Br

InChI

InChI=1S/C18H11BrN4O3/c19-12-9-23-16(24)10-5-1-3-7-13(10)21-18(23)22-15(12)20-14-8-4-2-6-11(14)17(25)26/h1-9H,(H,25,26)(H,20,21,22)