2-[2-azanyl-6-(methylamino)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-(methylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(methylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(methylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(methylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(methylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C9H15N6O4P MolecularWeight: 302.226961

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

InChI

InChI=1S/C9H15N6O4P/c1-11-7-6-8(14-9(10)13-7)15(4-12-6)2-3-19-5-20(16,17)18/h4H,2-3,5H2,1H3,(H2,16,17,18)(H3,10,11,13,14)