4-(2-azanyl-5-iodanyl-4-oxidanylidene-1H-pyrimidin-6-yl)benzoic acid

Systemtic Name: 4-(2-azanyl-5-iodanyl-4-oxidanylidene-1H-pyrimidin-6-yl)benzoic acid Openeye Name: 4-(2-amino-5-iodo-4-oxo-1H-pyrimidin-6-yl)benzoic acid CAS Name: 4-(2-amino-5-iodo-4-oxo-1H-pyrimidin-6-yl)benzoic acid IUPAC Name: 4-(2-amino-5-iodo-4-oxo-1H-pyrimidin-6-yl)benzoic acid Traditional Name: 4-(2-amino-5-iodo-4-keto-1H-pyrimidin-6-yl)benzoic acid Formula: C11H8IN3O3 MolecularWeight: 357.10399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)N)I)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)N)I)C(=O)O

InChI

InChI=1S/C11H8IN3O3/c12-7-8(14-11(13)15-9(7)16)5-1-3-6(4-2-5)10(17)18/h1-4H,(H,17,18)(H3,13,14,15,16)