1-(2-azanyl-6-bromanyl-purin-9-yl)propan-2-yloxymethylphosphonic acid

Systemtic Name: 1-(2-azanyl-6-bromanyl-purin-9-yl)propan-2-yloxymethylphosphonic acid Openeye Name: [2-(2-amino-6-bromo-purin-9-yl)-1-methyl-ethoxy]methylphosphonic acid CAS Name: 1-(2-amino-6-bromo-9-purinyl)propan-2-yloxymethylphosphonic acid IUPAC Name: 1-(2-amino-6-bromopurin-9-yl)propan-2-yloxymethylphosphonic acid Traditional Name: [2-(2-amino-6-bromo-purin-9-yl)-1-methyl-ethoxy]methylphosphonic acid Formula: C9H13BrN5O4P MolecularWeight: 366.108381

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=C(N=C2Br)N)OCP(=O)(O)O

Isomeric SMILES

CC(CN1C=NC2=C1N=C(N=C2Br)N)OCP(=O)(O)O

InChI

InChI=1S/C9H13BrN5O4P/c1-5(19-4-20(16,17)18)2-15-3-12-6-7(10)13-9(11)14-8(6)15/h3,5H,2,4H2,1H3,(H2,11,13,14)(H2,16,17,18)