2-(2-azanyl-8-bromanyl-6-oxidanylidene-3H-purin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(2-azanyl-8-bromanyl-6-oxidanylidene-3H-purin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)ethoxymethylphosphonic acid IUPAC Name: 2-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(2-amino-8-bromo-6-keto-3H-purin-9-yl)ethoxymethylphosphonic acid Formula: C8H11BrN5O5P MolecularWeight: 368.081201

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Descriptors Computed from Structure

Canonical SMILES:

C(COCP(=O)(O)O)N1C2=C(C(=O)N=C(N2)N)N=C1Br

Isomeric SMILES

C(COCP(=O)(O)O)N1C2=C(C(=O)N=C(N2)N)N=C1Br

InChI

InChI=1S/C8H11BrN5O5P/c9-7-11-4-5(12-8(10)13-6(4)15)14(7)1-2-19-3-20(16,17)18/h1-3H2,(H2,16,17,18)(H3,10,12,13,15)