2-[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-amino-8-keto-2-(2-methoxyethoxy)-7H-purin-9-yl]ethoxymethylphosphonic acid Formula: C11H18N5O7P MolecularWeight: 363.263681

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCOCP(=O)(O)O

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCOCP(=O)(O)O

InChI

InChI=1S/C11H18N5O7P/c1-21-4-5-23-10-14-8(12)7-9(15-10)16(11(17)13-7)2-3-22-6-24(18,19)20/h2-6H2,1H3,(H,13,17)(H2,12,14,15)(H2,18,19,20)