2-[[4-(7-bromanyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)phenyl]methyl]-N-phosphonato-benzamide

Systemtic Name: 2-[[4-(7-bromanyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)phenyl]methyl]-N-phosphonato-benzamide Openeye Name: 2-[[4-(7-bromo-3-methyl-4-oxo-quinazolin-2-yl)phenyl]methyl]-N-phosphonato-benzamide CAS Name: 2-[[4-(7-bromo-3-methyl-4-oxo-2-quinazolinyl)phenyl]methyl]-N-phosphonatobenzamide IUPAC Name: 2-[[4-(7-bromo-3-methyl-4-oxoquinazolin-2-yl)phenyl]methyl]-N-phosphonatobenzamide Traditional Name: 2-[4-(7-bromo-4-keto-3-methyl-quinazolin-2-yl)benzyl]-N-phosphonato-benzamide Formula: C23H17BrN3O5P-2 MolecularWeight: 526.275941

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(C1=O)C=CC(=C2)Br)C3=CC=C(C=C3)CC4=CC=CC=C4C(=O)NP(=O)([O-])[O-]

Isomeric SMILES

CN1C(=NC2=C(C1=O)C=CC(=C2)Br)C3=CC=C(C=C3)CC4=CC=CC=C4C(=O)NP(=O)([O-])[O-]

InChI

InChI=1S/C23H19BrN3O5P/c1-27-21(25-20-13-17(24)10-11-19(20)23(27)29)15-8-6-14(7-9-15)12-16-4-2-3-5-18(16)22(28)26-33(30,31)32/h2-11,13H,12H2,1H3,(H3,26,28,30,31,32)/p-2