diazanium [2-(6-iodanyl-4-oxidanylidene-1H-quinazolin-2-yl)phenyl] phosphate

Systemtic Name: diazanium [2-(6-iodanyl-4-oxidanylidene-1H-quinazolin-2-yl)phenyl] phosphate Openeye Name: diammonium [2-(6-iodanyl-4-oxo-1H-quinazolin-2-yl)phenyl] phosphate CAS Name: diammonium [2-(6-iodanyl-4-oxo-1H-quinazolin-2-yl)phenyl] phosphate IUPAC Name: diazanium [2-(6-iodanyl-4-oxo-1H-quinazolin-2-yl)phenyl] phosphate Traditional Name: diammonium [2-(6-iodanyl-4-keto-1H-quinazolin-2-yl)phenyl] phosphate Formula: C14H16IN4O5P MolecularWeight: 476.179025

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=O)C3=C(N2)C=CC(=C3)I)OP(=O)([O-])[O-].[NH4+].[NH4+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=O)C3=C(N2)C=CC(=C3)[125I])OP(=O)([O-])[O-].[NH4+].[NH4+]

InChI

InChI=1S/C14H10IN2O5P.2H3N/c15-8-5-6-11-10(7-8)14(18)17-13(16-11)9-3-1-2-4-12(9)22-23(19,20)21;;/h1-7H,(H,16,17,18)(H2,19,20,21);2*1H3/i15-2;;