1-[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]propan-2-yloxymethylphosphonic acid

Systemtic Name: 1-[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]propan-2-yloxymethylphosphonic acid Openeye Name: [2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: 1-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]propan-2-yloxymethylphosphonic acid IUPAC Name: 1-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]propan-2-yloxymethylphosphonic acid Traditional Name: [2-[6-amino-8-keto-2-(2-methoxyethoxy)-7H-purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C12H20N5O7P MolecularWeight: 377.290261

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C(=NC(=N2)OCCOC)N)NC1=O)OCP(=O)(O)O

Isomeric SMILES

CC(CN1C2=C(C(=NC(=N2)OCCOC)N)NC1=O)OCP(=O)(O)O

InChI

InChI=1S/C12H20N5O7P/c1-7(24-6-25(19,20)21)5-17-10-8(14-12(17)18)9(13)15-11(16-10)23-4-3-22-2/h7H,3-6H2,1-2H3,(H,14,18)(H2,13,15,16)(H2,19,20,21)