[1-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [1-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[(2-amino-6-oxo-3H-purin-7-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [1-(2-amino-6-oxo-3H-purin-7-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-(2-amino-6-oxo-3H-purin-7-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [1-[(2-amino-6-keto-3H-purin-7-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C9H14N5O6P MolecularWeight: 319.211121

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CO)OCP(=O)(O)O)C(=O)N=C(N2)N

Isomeric SMILES

C1=NC2=C(N1CC(CO)OCP(=O)(O)O)C(=O)N=C(N2)N

InChI

InChI=1S/C9H14N5O6P/c10-9-12-7-6(8(16)13-9)14(3-11-7)1-5(2-15)20-4-21(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)