2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; 1-oxidanylurea

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; 1-oxidanylurea Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; hydroxyurea CAS Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; hydroxyurea IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; hydroxyurea Traditional Name: 2-adenin-9-ylethoxymethylphosphonic acid; hydroxyurea Formula: C9H16N7O6P MolecularWeight: 349.240401

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)O.C(=O)(N)NO

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)O.C(=O)(N)NO

InChI

InChI=1S/C8H12N5O4P.CH4N2O2/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16;2-1(4)3-5/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16);5H,(H3,2,3,4)