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

Systemtic Name: [1-(6-azanyl-2-oxidanylidene-7H-purin-3-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[(6-amino-2-oxo-7H-purin-3-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [1-(6-amino-2-oxo-7H-purin-3-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-(6-amino-2-oxo-7H-purin-3-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [1-[(6-amino-2-keto-7H-purin-3-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(N1)C(=NC(=O)N2CC(CO)OCP(=O)(O)O)N

Isomeric SMILES

C1=NC2=C(N1)C(=NC(=O)N2CC(CO)OCP(=O)(O)O)N

InChI

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