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

Systemtic Name: 2-(2-azanyl-8-methyl-6-oxidanylidene-3H-purin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(2-amino-8-methyl-6-oxo-3H-purin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-(2-amino-8-methyl-6-oxo-3H-purin-9-yl)ethoxymethylphosphonic acid IUPAC Name: 2-(2-amino-8-methyl-6-oxo-3H-purin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(2-amino-6-keto-8-methyl-3H-purin-9-yl)ethoxymethylphosphonic acid Formula: C9H14N5O5P MolecularWeight: 303.211721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CCOCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

CC1=NC2=C(N1CCOCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H14N5O5P/c1-5-11-6-7(12-9(10)13-8(6)15)14(5)2-3-19-4-20(16,17)18/h2-4H2,1H3,(H2,16,17,18)(H3,10,12,13,15)