2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; [1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; [1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid; 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid CAS Name: [1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid; 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid IUPAC Name: [1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid; 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-adenin-9-ylethoxymethylphosphonic acid; [1-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C16H26N8O10P2 MolecularWeight: 552.372762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O.C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)O

Isomeric SMILES

C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O.C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)O

InChI

InChI=1S/C8H12N5O4P.C8H14N3O6P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16;9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16);1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)