2-(6-aminopurin-9-yl)ethoxymethylphosphonous acid; boron

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonous acid; boron Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonous acid; boron CAS Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonous acid; boron IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonous acid; boron Traditional Name: 2-adenin-9-ylethoxymethylphosphonous acid; boron Formula: C8H12BN5O3P MolecularWeight: 267.997341

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Descriptors Computed from Structure

Canonical SMILES:

[B].C1=NC2=C(C(=N1)N)N=CN2CCOCP(O)O

Isomeric SMILES

[B].C1=NC2=C(C(=N1)N)N=CN2CCOCP(O)O

InChI

InChI=1S/C8H12N5O3P.B/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-16-5-17(14)15;/h3-4,14-15H,1-2,5H2,(H2,9,10,11);