sodium; 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 2-oxidanylbenzoate

Systemtic Name: sodium; 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 2-oxidanylbenzoate Openeye Name: sodium; 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 2-hydroxybenzoate CAS Name: sodium; 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 2-hydroxybenzoate IUPAC Name: sodium; 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 2-hydroxybenzoate Traditional Name: sodium; 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; salicylate Formula: C15H16N5NaO6 MolecularWeight: 385.30721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])O.C1=NC2=C(N1COCCO)NC(=NC2=O)N.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])O.C1=NC2=C(N1COCCO)NC(=NC2=O)N.[Na+]

InChI

InChI=1S/C8H11N5O3.C7H6O3.Na/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;8-6-4-2-1-3-5(6)7(9)10;/h3,14H,1-2,4H2,(H3,9,11,12,15);1-4,8H,(H,9,10);/q;;+1/p-1