2-(6-aminopurin-9-yl)ethoxymethyl-[2,2,2-tris(bromanyl)ethoxy]phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2,2,2-tris(bromanyl)ethoxy]phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(2,2,2-tribromoethoxy)phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(2,2,2-tribromoethoxy)phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(2,2,2-tribromoethoxy)phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl(2,2,2-tribromoethoxy)phosphinic acid Formula: C10H13Br3N5O4P MolecularWeight: 537.927081

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)OCC(Br)(Br)Br

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)OCC(Br)(Br)Br

InChI

InChI=1S/C10H13Br3N5O4P/c11-10(12,13)3-22-23(19,20)6-21-2-1-18-5-17-7-8(14)15-4-16-9(7)18/h4-5H,1-3,6H2,(H,19,20)(H2,14,15,16)