N-[2-[[4-(7-bromanyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)phenyl]methyl]phenyl]carbonyl-ethoxy-phosphonamidic acid

Systemtic Name: N-[2-[[4-(7-bromanyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)phenyl]methyl]phenyl]carbonyl-ethoxy-phosphonamidic acid Openeye Name: N-[2-[[4-(7-bromo-3-methyl-4-oxo-quinazolin-2-yl)phenyl]methyl]benzoyl]-ethoxy-phosphonamidic acid CAS Name: N-[[2-[[4-(7-bromo-3-methyl-4-oxo-2-quinazolinyl)phenyl]methyl]phenyl]-oxomethyl]-ethoxyphosphonamidic acid IUPAC Name: N-[2-[[4-(7-bromo-3-methyl-4-oxoquinazolin-2-yl)phenyl]methyl]benzoyl]-ethoxyphosphonamidic acid Traditional Name: N-[2-[4-(7-bromo-4-keto-3-methyl-quinazolin-2-yl)benzyl]benzoyl]-ethoxy-phosphonamidic acid Formula: C25H23BrN3O5P MolecularWeight: 556.344981

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(NC(=O)C1=CC=CC=C1CC2=CC=C(C=C2)C3=NC4=C(C=CC(=C4)Br)C(=O)N3C)O

Isomeric SMILES

CCOP(=O)(NC(=O)C1=CC=CC=C1CC2=CC=C(C=C2)C3=NC4=C(C=CC(=C4)Br)C(=O)N3C)O

InChI

InChI=1S/C25H23BrN3O5P/c1-3-34-35(32,33)28-24(30)20-7-5-4-6-18(20)14-16-8-10-17(11-9-16)23-27-22-15-19(26)12-13-21(22)25(31)29(23)2/h4-13,15H,3,14H2,1-2H3,(H2,28,30,32,33)