sodium 4-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy]-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy]-4-oxidanylidene-butanoate Openeye Name: sodium 4-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-4-oxo-butanoate CAS Name: sodium 4-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-4-oxobutanoate IUPAC Name: sodium 4-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-4-oxobutanoate Traditional Name: sodium 4-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethoxy]-4-keto-butyrate Formula: C12H14N5NaO6 MolecularWeight: 347.25923

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCOC(=O)CCC(=O)[O-])NC(=NC2=O)N.[Na+]

Isomeric SMILES

C1=NC2=C(N1COCCOC(=O)CCC(=O)[O-])NC(=NC2=O)N.[Na+]

InChI

InChI=1S/C12H15N5O6.Na/c13-12-15-10-9(11(21)16-12)14-5-17(10)6-22-3-4-23-8(20)2-1-7(18)19;/h5H,1-4,6H2,(H,18,19)(H3,13,15,16,21);/q;+1/p-1